2025-08-31T10:04:47,347 Created temporary directory: /tmp/pip-build-tracker-ww5u8j2v 2025-08-31T10:04:47,348 Initialized build tracking at /tmp/pip-build-tracker-ww5u8j2v 2025-08-31T10:04:47,349 Created build tracker: /tmp/pip-build-tracker-ww5u8j2v 2025-08-31T10:04:47,349 Entered build tracker: /tmp/pip-build-tracker-ww5u8j2v 2025-08-31T10:04:47,350 Created temporary directory: /tmp/pip-wheel-adj6k352 2025-08-31T10:04:47,354 Created temporary directory: /tmp/pip-ephem-wheel-cache-miwezv0c 2025-08-31T10:04:47,400 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-08-31T10:04:47,402 2 location(s) to search for versions of xcbm: 2025-08-31T10:04:47,402 * https://pypi.org/simple/xcbm/ 2025-08-31T10:04:47,402 * https://www.piwheels.org/simple/xcbm/ 2025-08-31T10:04:47,403 Fetching project page and analyzing links: https://pypi.org/simple/xcbm/ 2025-08-31T10:04:47,404 Getting page https://pypi.org/simple/xcbm/ 2025-08-31T10:04:47,405 Found index url https://pypi.org/simple/ 2025-08-31T10:04:47,628 Fetched page https://pypi.org/simple/xcbm/ as application/vnd.pypi.simple.v1+json 2025-08-31T10:04:47,630 Skipping link: No binaries permitted for xcbm: https://files.pythonhosted.org/packages/0c/54/89adfcaaf3b7a1ac70f6e68ab96a621fc3c7aee0ce083a77c74955ab8566/xcbm-0.1.0-py3-none-any.whl (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9) 2025-08-31T10:04:47,631 Found link https://files.pythonhosted.org/packages/17/bb/ec53cba0bfd70b6e53a4004698bc6664c843d83ee4752c92742c2c280c56/xcbm-0.1.0.tar.gz (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9), version: 0.1.0 2025-08-31T10:04:47,632 Skipping link: No binaries permitted for xcbm: https://files.pythonhosted.org/packages/1e/8c/a22b89844c32206483b3eadd8aefcab23dfc936baf5928dc32c2134c37e9/xcbm-0.1.1-py3-none-any.whl (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9) 2025-08-31T10:04:47,633 Found link https://files.pythonhosted.org/packages/d9/68/8ce03bc5c7b5917a1cc4f975efe45f6523310b8f5caeedbb959bb3af328a/xcbm-0.1.1.tar.gz (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9), version: 0.1.1 2025-08-31T10:04:47,633 Skipping link: No binaries permitted for xcbm: https://files.pythonhosted.org/packages/76/1d/81c32ff3b0b9a49347a301be996c41d8b25825a9b87ecccec1e347c406c2/xcbm-0.1.2-py3-none-any.whl (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9) 2025-08-31T10:04:47,634 Found link https://files.pythonhosted.org/packages/85/b6/121aaa049f5903cafd5f972ffe6381d271044f15c2960f03d37bcfc4b0d4/xcbm-0.1.2.tar.gz (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9), version: 0.1.2 2025-08-31T10:04:47,634 Skipping link: No binaries permitted for xcbm: https://files.pythonhosted.org/packages/38/4b/995733900be1699a2a2154d0af259a85baf788186b3d557b0203723efdd2/xcbm-0.1.3-py3-none-any.whl (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9) 2025-08-31T10:04:47,635 Found link https://files.pythonhosted.org/packages/de/cc/c8df8c89d17143a3deb8acc78ffdfd5314f929265ffc9f7341be143b9594/xcbm-0.1.3.tar.gz (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9), version: 0.1.3 2025-08-31T10:04:47,636 Skipping link: No binaries permitted for xcbm: https://files.pythonhosted.org/packages/c0/5c/2cf2d5d79cb8672385cc2ed32819d650ddb54ac3e67838d0e7e2027904e6/xcbm-0.1.4-py3-none-any.whl (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9) 2025-08-31T10:04:47,636 Found link https://files.pythonhosted.org/packages/4a/bc/2a911fe4b28e72d26eb1de60dee377d1b13aa203628c6a635d386f7c9924/xcbm-0.1.4.tar.gz (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9), version: 0.1.4 2025-08-31T10:04:47,637 Skipping link: No binaries permitted for xcbm: https://files.pythonhosted.org/packages/ba/60/0a7d06cfdb177b10664db3f4c3acfcd725580566dec6d9d4561d110736a0/xcbm-0.1.5-py3-none-any.whl (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9) 2025-08-31T10:04:47,638 Found link https://files.pythonhosted.org/packages/bc/9d/4c6aba01828b0d700194dc90082f168d8553d8282d74eaff432dc5e2c2e6/xcbm-0.1.5.tar.gz (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9), version: 0.1.5 2025-08-31T10:04:47,638 Skipping link: No binaries permitted for xcbm: https://files.pythonhosted.org/packages/bb/c8/740c3edc412f87ab8ddcc82b03f3db86486fb6ae7b4866534b3c4f15662a/xcbm-0.1.6-py3-none-any.whl (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9) 2025-08-31T10:04:47,639 Found link https://files.pythonhosted.org/packages/bf/ea/9290eababf634ccaaf3849ebcfefacca30c9eade9ee76d0d7f80dfa89f62/xcbm-0.1.6.tar.gz (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9), version: 0.1.6 2025-08-31T10:04:47,640 Fetching project page and analyzing links: https://www.piwheels.org/simple/xcbm/ 2025-08-31T10:04:47,640 Getting page https://www.piwheels.org/simple/xcbm/ 2025-08-31T10:04:47,642 Found index url https://www.piwheels.org/simple/ 2025-08-31T10:04:47,853 Fetched page https://www.piwheels.org/simple/xcbm/ as text/html 2025-08-31T10:04:47,856 Skipping link: No binaries permitted for xcbm: https://www.piwheels.org/simple/xcbm/xcbm-0.1.5-py3-none-any.whl#sha256=0c423a4077cd467f44e20d2c8ec5511904d87a3fc941d118ff954c71578f6667 (from https://www.piwheels.org/simple/xcbm/) (requires-python:>=3.9) 2025-08-31T10:04:47,856 Skipping link: No binaries permitted for xcbm: https://www.piwheels.org/simple/xcbm/xcbm-0.1.4-py3-none-any.whl#sha256=29a2d4272dac367328025be7a06119ff363bfe86dd1cdb3b7e84592c24e2a991 (from https://www.piwheels.org/simple/xcbm/) (requires-python:>=3.9) 2025-08-31T10:04:47,857 Skipping link: No binaries permitted for xcbm: https://www.piwheels.org/simple/xcbm/xcbm-0.1.3-py3-none-any.whl#sha256=fc412e62b12fae4c046cb0fe235cd4c1813cadefbce4d2b2f4c6db2d2962b8e8 (from https://www.piwheels.org/simple/xcbm/) (requires-python:>=3.9) 2025-08-31T10:04:47,857 Skipping link: No binaries permitted for xcbm: https://www.piwheels.org/simple/xcbm/xcbm-0.1.2-py3-none-any.whl#sha256=11f20d12f9aeb850e0bebb77b3fe04103c418f5dffcf4600daa7ef5b2862068f (from https://www.piwheels.org/simple/xcbm/) (requires-python:>=3.9) 2025-08-31T10:04:47,858 Skipping link: No binaries permitted for xcbm: https://www.piwheels.org/simple/xcbm/xcbm-0.1.1-py3-none-any.whl#sha256=409ed2e212d3ef575a4b9939661dffea24cb12a27f7b032379300969c743e134 (from https://www.piwheels.org/simple/xcbm/) (requires-python:>=3.9) 2025-08-31T10:04:47,858 Skipping link: No binaries permitted for xcbm: https://www.piwheels.org/simple/xcbm/xcbm-0.1.0-py3-none-any.whl#sha256=fc89f80e6e574f7a5a8832ab10d617e13e78710ce58357f17ce5aeae3910942d (from https://www.piwheels.org/simple/xcbm/) (requires-python:>=3.9) 2025-08-31T10:04:47,859 Skipping link: not a file: https://www.piwheels.org/simple/xcbm/ 2025-08-31T10:04:47,859 Skipping link: not a file: https://pypi.org/simple/xcbm/ 2025-08-31T10:04:47,877 Given no hashes to check 1 links for project 'xcbm': discarding no candidates 2025-08-31T10:04:47,879 Collecting xcbm==0.1.6 2025-08-31T10:04:47,881 Created temporary directory: /tmp/pip-unpack-x_wncbw_ 2025-08-31T10:04:48,112 Downloading xcbm-0.1.6.tar.gz (4.2 MB) 2025-08-31T10:05:28,659 Added xcbm==0.1.6 from https://files.pythonhosted.org/packages/bf/ea/9290eababf634ccaaf3849ebcfefacca30c9eade9ee76d0d7f80dfa89f62/xcbm-0.1.6.tar.gz to build tracker '/tmp/pip-build-tracker-ww5u8j2v' 2025-08-31T10:05:28,662 Created temporary directory: /tmp/pip-build-env-7xbzliz0 2025-08-31T10:05:28,668 Installing build dependencies: started 2025-08-31T10:05:28,669 Running command pip subprocess to install build dependencies 2025-08-31T10:05:30,442 Using pip 25.2 from /usr/local/lib/python3.11/dist-packages/pip (python 3.11) 2025-08-31T10:05:30,443 Non-user install by explicit request 2025-08-31T10:05:30,917 Created build tracker: /tmp/pip-build-tracker-ww5u8j2v 2025-08-31T10:05:30,917 Entered build tracker: /tmp/pip-build-tracker-ww5u8j2v 2025-08-31T10:05:30,920 Created temporary directory: /tmp/pip-install-pyjmimpv 2025-08-31T10:05:30,924 Created temporary directory: /tmp/pip-ephem-wheel-cache-607z5r5o 2025-08-31T10:05:30,972 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-08-31T10:05:30,974 2 location(s) to search for versions of setuptools: 2025-08-31T10:05:30,975 * https://pypi.org/simple/setuptools/ 2025-08-31T10:05:30,976 * https://www.piwheels.org/simple/setuptools/ 2025-08-31T10:05:30,976 Fetching project page and analyzing links: https://pypi.org/simple/setuptools/ 2025-08-31T10:05:30,976 Getting page https://pypi.org/simple/setuptools/ 2025-08-31T10:05:30,978 Found index url https://pypi.org/simple/ 2025-08-31T10:05:30,981 Looking up "https://pypi.org/simple/setuptools/" in the cache 2025-08-31T10:05:30,981 Request header has "max_age" as 0, cache bypassed 2025-08-31T10:05:30,985 Starting new HTTPS connection (1): pypi.org:443 2025-08-31T10:05:31,125 https://pypi.org:443 "GET /simple/setuptools/ HTTP/1.1" 304 0 2025-08-31T10:05:31,144 Fetched page https://pypi.org/simple/setuptools/ as application/vnd.pypi.simple.v1+json 2025-08-31T10:05:31,298 Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/77/38/90cae8fd99c5dc402d25930e1c91f5fcf6de5c8e982fd152a5a061e3df56/setuptools-0.6b1-py2.3.egg (from https://pypi.org/simple/setuptools/) 2025-08-31T10:05:31,299 Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/1f/ab/1ed6131b5112d1d47cb89e1cbea08f783f0ed49d6fc795ed2ff63f84d20c/setuptools-0.6b1-py2.4.egg (from https://pypi.org/simple/setuptools/) 2025-08-31T10:05:31,300 Found link https://files.pythonhosted.org/packages/82/cb/906d051fdf1c8b7703d288d3cc44ff32746090378f7f8539c8476a21ce9a/setuptools-0.6b1.zip (from https://pypi.org/simple/setuptools/), version: 0.6b1 2025-08-31T10:05:31,301 Skipping link: unsupported archive format: .egg: 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https://files.pythonhosted.org/packages/10/b3/7166e400d3b953fa4714f97806f077a3f7791cd48ea71df708814234283a/setuptools-0.6b3-py2.4.egg (from https://pypi.org/simple/setuptools/) 2025-08-31T10:05:31,305 Found link https://files.pythonhosted.org/packages/ff/33/635de67bf3010651ba8db9d8064721274bfb6fbb778a110089f34beabaf2/setuptools-0.6b3.zip (from https://pypi.org/simple/setuptools/), version: 0.6b3 2025-08-31T10:05:31,305 Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/1c/d7/6927233caddaa4f466a8b957c94be00810e751edb2655283c04fc3b680f2/setuptools-0.6b4-py2.3.egg (from https://pypi.org/simple/setuptools/) 2025-08-31T10:05:31,306 Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/b3/79/8c94b6c99192df5f5d900ce17405cb5cfcdab8643d2e4aaf6ce1ee948576/setuptools-0.6b4-py2.4.egg (from https://pypi.org/simple/setuptools/) 2025-08-31T10:05:31,307 Found link 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https://www.piwheels.org/simple/setuptools/), version: 0.8 2025-08-31T10:05:33,526 Skipping link: not a file: https://www.piwheels.org/simple/setuptools/ 2025-08-31T10:05:33,527 Skipping link: not a file: https://pypi.org/simple/setuptools/ 2025-08-31T10:05:33,741 Given no hashes to check 833 links for project 'setuptools': discarding no candidates 2025-08-31T10:05:33,874 Collecting setuptools>=40.8.0 2025-08-31T10:05:33,876 Created temporary directory: /tmp/pip-unpack-c6yq5wtv 2025-08-31T10:05:33,877 Found index url https://www.piwheels.org/simple/ 2025-08-31T10:05:33,878 Looking up "https://www.piwheels.org/simple/setuptools/setuptools-80.9.0-py3-none-any.whl" in the cache 2025-08-31T10:05:33,881 Current age based on date: 18 2025-08-31T10:05:33,888 https://www.piwheels.org:443 "GET /simple/setuptools/setuptools-80.9.0-py3-none-any.whl HTTP/1.1" 304 0 2025-08-31T10:05:33,893 Using cached https://www.piwheels.org/simple/setuptools/setuptools-80.9.0-py3-none-any.whl (1.2 MB) 2025-08-31T10:05:33,980 Created temporary directory: /tmp/pip-unpack-52bjzr2h 2025-08-31T10:05:34,525 Installing collected packages: setuptools 2025-08-31T10:05:35,441 Successfully installed setuptools-80.9.0 2025-08-31T10:05:35,443 Removed build tracker: '/tmp/pip-build-tracker-ww5u8j2v' 2025-08-31T10:05:35,676 Installing build dependencies: finished with status 'done' 2025-08-31T10:05:35,681 Getting requirements to build wheel: started 2025-08-31T10:05:35,682 Running command Getting requirements to build wheel 2025-08-31T10:05:42,409 running egg_info 2025-08-31T10:05:42,416 writing xcbm.egg-info/PKG-INFO 2025-08-31T10:05:42,419 writing dependency_links to xcbm.egg-info/dependency_links.txt 2025-08-31T10:05:42,430 writing top-level names to xcbm.egg-info/top_level.txt 2025-08-31T10:06:20,085 reading manifest file 'xcbm.egg-info/SOURCES.txt' 2025-08-31T10:06:21,066 adding license file 'LICENSE' 2025-08-31T10:06:22,094 writing manifest file 'xcbm.egg-info/SOURCES.txt' 2025-08-31T10:06:22,234 Getting requirements to build wheel: finished with status 'done' 2025-08-31T10:06:22,237 Created temporary directory: /tmp/pip-modern-metadata-jax2a77o 2025-08-31T10:06:22,239 Preparing metadata (pyproject.toml): started 2025-08-31T10:06:22,240 Running command Preparing metadata (pyproject.toml) 2025-08-31T10:06:25,870 running dist_info 2025-08-31T10:06:25,882 creating /tmp/pip-modern-metadata-jax2a77o/xcbm.egg-info 2025-08-31T10:06:25,883 writing /tmp/pip-modern-metadata-jax2a77o/xcbm.egg-info/PKG-INFO 2025-08-31T10:06:25,886 writing dependency_links to /tmp/pip-modern-metadata-jax2a77o/xcbm.egg-info/dependency_links.txt 2025-08-31T10:06:25,897 writing top-level names to /tmp/pip-modern-metadata-jax2a77o/xcbm.egg-info/top_level.txt 2025-08-31T10:06:25,899 writing manifest file '/tmp/pip-modern-metadata-jax2a77o/xcbm.egg-info/SOURCES.txt' 2025-08-31T10:06:56,824 reading manifest file '/tmp/pip-modern-metadata-jax2a77o/xcbm.egg-info/SOURCES.txt' 2025-08-31T10:06:56,826 adding license file 'LICENSE' 2025-08-31T10:06:57,463 writing manifest file '/tmp/pip-modern-metadata-jax2a77o/xcbm.egg-info/SOURCES.txt' 2025-08-31T10:06:57,505 creating '/tmp/pip-modern-metadata-jax2a77o/xcbm-0.1.6.dist-info' 2025-08-31T10:06:57,702 Preparing metadata (pyproject.toml): finished with status 'done' 2025-08-31T10:06:57,707 Source in /tmp/pip-wheel-adj6k352/xcbm_dc2113e9d2284ae1936cf00629c37298 has version 0.1.6, which satisfies requirement xcbm==0.1.6 from https://files.pythonhosted.org/packages/bf/ea/9290eababf634ccaaf3849ebcfefacca30c9eade9ee76d0d7f80dfa89f62/xcbm-0.1.6.tar.gz 2025-08-31T10:06:57,708 Removed xcbm==0.1.6 from https://files.pythonhosted.org/packages/bf/ea/9290eababf634ccaaf3849ebcfefacca30c9eade9ee76d0d7f80dfa89f62/xcbm-0.1.6.tar.gz from build tracker '/tmp/pip-build-tracker-ww5u8j2v' 2025-08-31T10:06:57,711 Created temporary directory: /tmp/pip-unpack-gmfrknbk 2025-08-31T10:06:57,712 Created temporary directory: /tmp/pip-unpack-2usza37z 2025-08-31T10:06:57,713 Building wheels for collected packages: xcbm 2025-08-31T10:06:57,717 Created temporary directory: /tmp/pip-wheel-h25mwdhb 2025-08-31T10:06:57,718 Destination directory: /tmp/pip-wheel-h25mwdhb 2025-08-31T10:06:57,720 Building wheel for xcbm (pyproject.toml): started 2025-08-31T10:06:57,721 Running command Building wheel for xcbm (pyproject.toml) 2025-08-31T10:07:01,047 running bdist_wheel 2025-08-31T10:07:01,069 running build 2025-08-31T10:07:01,069 running build_py 2025-08-31T10:07:01,076 creating build/lib/xcbm 2025-08-31T10:07:01,078 copying xcbm/MGCDB84.py -> build/lib/xcbm 2025-08-31T10:07:01,080 copying xcbm/GMTKN55.py -> build/lib/xcbm 2025-08-31T10:07:01,083 creating build/lib/xcbm/Input_Scripts 2025-08-31T10:07:01,084 copying xcbm/Input_Scripts/calc_MGCDB84.py -> build/lib/xcbm/Input_Scripts 2025-08-31T10:07:01,086 copying xcbm/Input_Scripts/calc_GMTKN55.py -> build/lib/xcbm/Input_Scripts 2025-08-31T10:07:04,866 running egg_info 2025-08-31T10:07:04,879 writing xcbm.egg-info/PKG-INFO 2025-08-31T10:07:04,881 writing dependency_links to xcbm.egg-info/dependency_links.txt 2025-08-31T10:07:04,891 writing top-level names to xcbm.egg-info/top_level.txt 2025-08-31T10:07:31,786 reading manifest file 'xcbm.egg-info/SOURCES.txt' 2025-08-31T10:07:32,725 adding license file 'LICENSE' 2025-08-31T10:07:33,734 writing manifest file 'xcbm.egg-info/SOURCES.txt' 2025-08-31T10:07:58,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3 2025-08-31T10:07:58,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3 2025-08-31T10:07:58,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6 2025-08-31T10:07:58,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6 2025-08-31T10:07:58,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2 2025-08-31T10:07:58,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2 2025-08-31T10:07:58,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6 2025-08-31T10:07:58,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6 2025-08-31T10:07:58,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6 2025-08-31T10:07:58,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6 2025-08-31T10:07:58,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3 2025-08-31T10:07:58,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3 2025-08-31T10:07:58,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6 2025-08-31T10:07:58,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6 2025-08-31T10:07:58,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4 2025-08-31T10:07:58,624 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4 2025-08-31T10:07:58,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5 2025-08-31T10:07:58,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5 2025-08-31T10:07:58,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3 2025-08-31T10:07:58,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3 2025-08-31T10:07:58,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3 2025-08-31T10:07:58,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3 2025-08-31T10:07:58,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137 2025-08-31T10:07:58,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137 2025-08-31T10:07:58,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+ 2025-08-31T10:07:58,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+ 2025-08-31T10:07:58,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+ 2025-08-31T10:07:58,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+ 2025-08-31T10:07:58,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74 2025-08-31T10:07:58,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74 2025-08-31T10:07:58,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71 2025-08-31T10:07:58,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71 2025-08-31T10:07:58,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79 2025-08-31T10:07:58,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79 2025-08-31T10:07:58,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80 2025-08-31T10:07:58,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80 2025-08-31T10:07:58,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p 2025-08-31T10:07:58,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p 2025-08-31T10:07:58,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8 2025-08-31T10:07:58,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8 2025-08-31T10:07:58,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76 2025-08-31T10:07:58,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76 2025-08-31T10:07:58,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30 2025-08-31T10:07:58,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30 2025-08-31T10:07:58,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al 2025-08-31T10:07:58,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al 2025-08-31T10:07:58,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+ 2025-08-31T10:07:58,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+ 2025-08-31T10:07:58,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c 2025-08-31T10:07:58,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c 2025-08-31T10:07:58,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be 2025-08-31T10:07:58,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be 2025-08-31T10:07:58,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+ 2025-08-31T10:07:58,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+ 2025-08-31T10:07:58,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n 2025-08-31T10:07:58,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n 2025-08-31T10:07:58,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+ 2025-08-31T10:07:58,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+ 2025-08-31T10:07:58,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64 2025-08-31T10:07:58,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64 2025-08-31T10:07:58,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34 2025-08-31T10:07:58,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34 2025-08-31T10:07:58,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s 2025-08-31T10:07:58,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s 2025-08-31T10:07:58,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+ 2025-08-31T10:07:58,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+ 2025-08-31T10:07:58,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75 2025-08-31T10:07:58,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75 2025-08-31T10:07:58,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59 2025-08-31T10:07:58,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59 2025-08-31T10:07:58,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73 2025-08-31T10:07:58,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73 2025-08-31T10:07:58,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22 2025-08-31T10:07:58,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22 2025-08-31T10:07:58,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18 2025-08-31T10:07:58,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18 2025-08-31T10:07:58,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37 2025-08-31T10:07:58,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37 2025-08-31T10:07:58,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+ 2025-08-31T10:07:58,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+ 2025-08-31T10:07:58,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72 2025-08-31T10:07:58,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72 2025-08-31T10:07:58,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67 2025-08-31T10:07:58,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67 2025-08-31T10:07:58,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68 2025-08-31T10:07:58,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68 2025-08-31T10:07:58,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+ 2025-08-31T10:07:58,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+ 2025-08-31T10:07:58,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o 2025-08-31T10:07:58,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o 2025-08-31T10:07:58,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13 2025-08-31T10:07:58,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13 2025-08-31T10:07:58,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25 2025-08-31T10:07:58,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25 2025-08-31T10:07:58,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77 2025-08-31T10:07:58,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77 2025-08-31T10:07:58,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14 2025-08-31T10:07:58,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14 2025-08-31T10:07:58,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg 2025-08-31T10:07:58,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg 2025-08-31T10:07:58,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19 2025-08-31T10:07:58,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19 2025-08-31T10:07:58,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+ 2025-08-31T10:07:58,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+ 2025-08-31T10:07:58,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60 2025-08-31T10:07:58,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60 2025-08-31T10:07:58,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+ 2025-08-31T10:07:58,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+ 2025-08-31T10:07:58,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45 2025-08-31T10:07:58,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45 2025-08-31T10:07:58,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26 2025-08-31T10:07:58,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26 2025-08-31T10:07:58,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl 2025-08-31T10:07:58,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl 2025-08-31T10:07:58,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78 2025-08-31T10:07:58,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78 2025-08-31T10:07:58,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b 2025-08-31T10:07:58,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b 2025-08-31T10:07:58,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li 2025-08-31T10:07:58,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li 2025-08-31T10:07:58,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20 2025-08-31T10:07:58,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20 2025-08-31T10:07:58,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66 2025-08-31T10:07:58,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66 2025-08-31T10:07:58,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43 2025-08-31T10:07:58,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43 2025-08-31T10:07:58,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44 2025-08-31T10:07:58,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44 2025-08-31T10:07:58,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62 2025-08-31T10:07:58,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62 2025-08-31T10:07:58,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h 2025-08-31T10:07:58,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h 2025-08-31T10:07:58,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+ 2025-08-31T10:07:58,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+ 2025-08-31T10:07:58,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na 2025-08-31T10:07:58,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na 2025-08-31T10:07:58,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65 2025-08-31T10:07:58,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65 2025-08-31T10:07:58,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+ 2025-08-31T10:07:58,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+ 2025-08-31T10:07:58,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61 2025-08-31T10:07:58,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61 2025-08-31T10:07:58,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si 2025-08-31T10:07:58,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si 2025-08-31T10:07:58,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12 2025-08-31T10:07:58,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12 2025-08-31T10:07:58,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63 2025-08-31T10:07:58,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63 2025-08-31T10:07:58,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70 2025-08-31T10:07:58,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70 2025-08-31T10:07:58,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51 2025-08-31T10:07:58,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51 2025-08-31T10:07:58,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f 2025-08-31T10:07:58,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f 2025-08-31T10:07:58,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+ 2025-08-31T10:07:58,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+ 2025-08-31T10:07:58,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48 2025-08-31T10:07:58,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48 2025-08-31T10:07:58,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65 2025-08-31T10:07:58,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65 2025-08-31T10:07:58,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11 2025-08-31T10:07:58,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11 2025-08-31T10:07:58,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+ 2025-08-31T10:07:58,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+ 2025-08-31T10:07:58,871 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans 2025-08-31T10:07:58,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans 2025-08-31T10:07:58,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180 2025-08-31T10:07:58,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180 2025-08-31T10:07:58,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans 2025-08-31T10:07:58,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans 2025-08-31T10:07:58,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120 2025-08-31T10:07:58,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120 2025-08-31T10:07:58,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis 2025-08-31T10:07:58,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis 2025-08-31T10:07:58,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2 2025-08-31T10:07:58,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2 2025-08-31T10:07:58,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2 2025-08-31T10:07:58,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2 2025-08-31T10:07:58,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn 2025-08-31T10:07:58,896 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn 2025-08-31T10:07:58,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis 2025-08-31T10:07:58,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis 2025-08-31T10:07:58,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis 2025-08-31T10:07:58,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis 2025-08-31T10:07:58,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2 2025-08-31T10:07:58,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2 2025-08-31T10:07:58,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1 2025-08-31T10:07:58,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1 2025-08-31T10:07:58,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS 2025-08-31T10:07:58,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS 2025-08-31T10:07:58,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti 2025-08-31T10:07:58,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti 2025-08-31T10:07:58,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl 2025-08-31T10:07:58,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl 2025-08-31T10:07:58,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2 2025-08-31T10:07:58,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2 2025-08-31T10:07:58,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180 2025-08-31T10:07:58,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180 2025-08-31T10:07:58,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st 2025-08-31T10:07:58,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st 2025-08-31T10:07:58,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0 2025-08-31T10:07:58,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0 2025-08-31T10:07:58,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1 2025-08-31T10:07:58,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1 2025-08-31T10:07:58,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0 2025-08-31T10:07:58,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0 2025-08-31T10:07:58,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans 2025-08-31T10:07:58,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans 2025-08-31T10:07:58,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn 2025-08-31T10:07:58,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn 2025-08-31T10:07:58,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl 2025-08-31T10:07:58,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl 2025-08-31T10:07:58,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1 2025-08-31T10:07:58,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1 2025-08-31T10:07:58,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2 2025-08-31T10:07:58,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2 2025-08-31T10:07:58,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1 2025-08-31T10:07:58,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1 2025-08-31T10:07:58,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS 2025-08-31T10:07:58,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS 2025-08-31T10:07:58,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl 2025-08-31T10:07:58,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl 2025-08-31T10:07:58,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2 2025-08-31T10:07:58,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2 2025-08-31T10:07:58,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1 2025-08-31T10:07:58,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1 2025-08-31T10:07:58,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st 2025-08-31T10:07:58,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st 2025-08-31T10:07:58,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl 2025-08-31T10:07:58,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl 2025-08-31T10:07:58,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl 2025-08-31T10:07:58,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl 2025-08-31T10:07:58,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st 2025-08-31T10:07:58,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st 2025-08-31T10:07:58,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti 2025-08-31T10:07:58,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti 2025-08-31T10:07:58,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS 2025-08-31T10:07:58,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS 2025-08-31T10:07:58,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC 2025-08-31T10:07:58,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC 2025-08-31T10:07:58,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS 2025-08-31T10:07:58,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS 2025-08-31T10:07:59,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60 2025-08-31T10:07:59,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60 2025-08-31T10:07:59,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a 2025-08-31T10:07:59,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a 2025-08-31T10:07:59,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a 2025-08-31T10:07:59,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a 2025-08-31T10:07:59,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23 2025-08-31T10:07:59,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23 2025-08-31T10:07:59,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4 2025-08-31T10:07:59,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4 2025-08-31T10:07:59,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a 2025-08-31T10:07:59,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a 2025-08-31T10:07:59,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a 2025-08-31T10:07:59,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a 2025-08-31T10:07:59,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b 2025-08-31T10:07:59,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b 2025-08-31T10:07:59,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8 2025-08-31T10:07:59,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8 2025-08-31T10:07:59,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b 2025-08-31T10:07:59,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b 2025-08-31T10:07:59,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b 2025-08-31T10:07:59,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b 2025-08-31T10:07:59,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b 2025-08-31T10:07:59,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b 2025-08-31T10:07:59,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3 2025-08-31T10:07:59,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3 2025-08-31T10:07:59,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a 2025-08-31T10:07:59,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a 2025-08-31T10:07:59,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a 2025-08-31T10:07:59,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a 2025-08-31T10:07:59,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b 2025-08-31T10:07:59,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b 2025-08-31T10:07:59,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a 2025-08-31T10:07:59,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a 2025-08-31T10:07:59,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b 2025-08-31T10:07:59,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b 2025-08-31T10:07:59,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10 2025-08-31T10:07:59,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10 2025-08-31T10:07:59,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b 2025-08-31T10:07:59,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b 2025-08-31T10:07:59,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b 2025-08-31T10:07:59,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b 2025-08-31T10:07:59,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a 2025-08-31T10:07:59,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a 2025-08-31T10:07:59,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a 2025-08-31T10:07:59,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a 2025-08-31T10:07:59,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a 2025-08-31T10:07:59,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a 2025-08-31T10:07:59,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a 2025-08-31T10:07:59,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a 2025-08-31T10:07:59,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22 2025-08-31T10:07:59,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22 2025-08-31T10:07:59,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18 2025-08-31T10:07:59,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18 2025-08-31T10:07:59,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16 2025-08-31T10:07:59,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16 2025-08-31T10:07:59,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7 2025-08-31T10:07:59,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7 2025-08-31T10:07:59,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a 2025-08-31T10:07:59,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a 2025-08-31T10:07:59,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21 2025-08-31T10:07:59,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21 2025-08-31T10:07:59,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b 2025-08-31T10:07:59,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b 2025-08-31T10:07:59,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13 2025-08-31T10:07:59,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13 2025-08-31T10:07:59,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a 2025-08-31T10:07:59,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a 2025-08-31T10:07:59,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6 2025-08-31T10:07:59,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6 2025-08-31T10:07:59,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a 2025-08-31T10:07:59,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a 2025-08-31T10:07:59,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a 2025-08-31T10:07:59,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a 2025-08-31T10:07:59,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14 2025-08-31T10:07:59,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14 2025-08-31T10:07:59,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a 2025-08-31T10:07:59,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a 2025-08-31T10:07:59,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a 2025-08-31T10:07:59,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a 2025-08-31T10:07:59,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1 2025-08-31T10:07:59,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1 2025-08-31T10:07:59,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15 2025-08-31T10:07:59,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15 2025-08-31T10:07:59,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19 2025-08-31T10:07:59,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19 2025-08-31T10:07:59,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b 2025-08-31T10:07:59,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b 2025-08-31T10:07:59,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b 2025-08-31T10:07:59,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b 2025-08-31T10:07:59,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b 2025-08-31T10:07:59,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b 2025-08-31T10:07:59,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2 2025-08-31T10:07:59,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2 2025-08-31T10:07:59,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20 2025-08-31T10:07:59,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20 2025-08-31T10:07:59,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b 2025-08-31T10:07:59,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b 2025-08-31T10:07:59,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5 2025-08-31T10:07:59,169 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5 2025-08-31T10:07:59,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b 2025-08-31T10:07:59,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b 2025-08-31T10:07:59,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b 2025-08-31T10:07:59,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b 2025-08-31T10:07:59,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b 2025-08-31T10:07:59,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b 2025-08-31T10:07:59,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b 2025-08-31T10:07:59,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b 2025-08-31T10:07:59,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b 2025-08-31T10:07:59,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b 2025-08-31T10:07:59,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12 2025-08-31T10:07:59,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12 2025-08-31T10:07:59,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b 2025-08-31T10:07:59,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b 2025-08-31T10:07:59,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17 2025-08-31T10:07:59,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17 2025-08-31T10:07:59,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9 2025-08-31T10:07:59,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9 2025-08-31T10:07:59,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a 2025-08-31T10:07:59,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a 2025-08-31T10:07:59,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b 2025-08-31T10:07:59,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b 2025-08-31T10:07:59,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a 2025-08-31T10:07:59,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a 2025-08-31T10:07:59,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b 2025-08-31T10:07:59,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b 2025-08-31T10:07:59,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b 2025-08-31T10:07:59,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b 2025-08-31T10:07:59,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a 2025-08-31T10:07:59,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a 2025-08-31T10:07:59,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a 2025-08-31T10:07:59,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a 2025-08-31T10:07:59,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b 2025-08-31T10:07:59,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b 2025-08-31T10:07:59,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a 2025-08-31T10:07:59,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a 2025-08-31T10:07:59,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a 2025-08-31T10:07:59,233 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a 2025-08-31T10:07:59,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11 2025-08-31T10:07:59,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11 2025-08-31T10:07:59,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1 2025-08-31T10:07:59,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1 2025-08-31T10:07:59,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3 2025-08-31T10:07:59,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3 2025-08-31T10:07:59,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4 2025-08-31T10:07:59,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4 2025-08-31T10:07:59,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1 2025-08-31T10:07:59,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1 2025-08-31T10:07:59,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3 2025-08-31T10:07:59,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3 2025-08-31T10:07:59,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10 2025-08-31T10:07:59,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10 2025-08-31T10:07:59,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10 2025-08-31T10:07:59,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10 2025-08-31T10:07:59,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9 2025-08-31T10:07:59,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9 2025-08-31T10:07:59,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9 2025-08-31T10:07:59,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9 2025-08-31T10:07:59,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8 2025-08-31T10:07:59,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8 2025-08-31T10:07:59,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5 2025-08-31T10:07:59,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5 2025-08-31T10:07:59,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5 2025-08-31T10:07:59,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5 2025-08-31T10:07:59,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2 2025-08-31T10:07:59,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2 2025-08-31T10:07:59,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7 2025-08-31T10:07:59,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7 2025-08-31T10:07:59,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4 2025-08-31T10:07:59,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4 2025-08-31T10:07:59,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6 2025-08-31T10:07:59,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6 2025-08-31T10:07:59,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6 2025-08-31T10:07:59,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6 2025-08-31T10:07:59,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8 2025-08-31T10:07:59,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8 2025-08-31T10:07:59,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2 2025-08-31T10:07:59,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2 2025-08-31T10:07:59,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7 2025-08-31T10:07:59,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7 2025-08-31T10:07:59,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02 2025-08-31T10:07:59,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02 2025-08-31T10:07:59,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a 2025-08-31T10:07:59,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a 2025-08-31T10:07:59,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a 2025-08-31T10:07:59,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a 2025-08-31T10:07:59,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08 2025-08-31T10:07:59,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08 2025-08-31T10:07:59,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a 2025-08-31T10:07:59,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a 2025-08-31T10:07:59,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b 2025-08-31T10:07:59,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b 2025-08-31T10:07:59,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b 2025-08-31T10:07:59,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b 2025-08-31T10:07:59,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a 2025-08-31T10:07:59,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a 2025-08-31T10:07:59,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b 2025-08-31T10:07:59,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b 2025-08-31T10:07:59,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a 2025-08-31T10:07:59,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a 2025-08-31T10:07:59,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06 2025-08-31T10:07:59,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06 2025-08-31T10:07:59,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a 2025-08-31T10:07:59,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a 2025-08-31T10:07:59,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10 2025-08-31T10:07:59,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10 2025-08-31T10:07:59,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a 2025-08-31T10:07:59,354 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a 2025-08-31T10:07:59,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a 2025-08-31T10:07:59,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a 2025-08-31T10:07:59,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b 2025-08-31T10:07:59,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b 2025-08-31T10:07:59,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a 2025-08-31T10:07:59,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a 2025-08-31T10:07:59,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22 2025-08-31T10:07:59,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22 2025-08-31T10:07:59,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18 2025-08-31T10:07:59,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18 2025-08-31T10:07:59,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16 2025-08-31T10:07:59,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16 2025-08-31T10:07:59,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04 2025-08-31T10:07:59,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04 2025-08-31T10:07:59,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a 2025-08-31T10:07:59,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a 2025-08-31T10:07:59,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a 2025-08-31T10:07:59,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a 2025-08-31T10:07:59,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09 2025-08-31T10:07:59,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09 2025-08-31T10:07:59,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a 2025-08-31T10:07:59,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a 2025-08-31T10:07:59,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b 2025-08-31T10:07:59,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b 2025-08-31T10:07:59,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21 2025-08-31T10:07:59,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21 2025-08-31T10:07:59,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13 2025-08-31T10:07:59,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13 2025-08-31T10:07:59,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a 2025-08-31T10:07:59,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a 2025-08-31T10:07:59,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14 2025-08-31T10:07:59,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14 2025-08-31T10:07:59,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a 2025-08-31T10:07:59,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a 2025-08-31T10:07:59,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a 2025-08-31T10:07:59,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a 2025-08-31T10:07:59,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15 2025-08-31T10:07:59,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15 2025-08-31T10:07:59,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a 2025-08-31T10:07:59,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a 2025-08-31T10:07:59,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19 2025-08-31T10:07:59,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19 2025-08-31T10:07:59,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01 2025-08-31T10:07:59,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01 2025-08-31T10:07:59,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b 2025-08-31T10:07:59,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b 2025-08-31T10:07:59,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03 2025-08-31T10:07:59,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03 2025-08-31T10:07:59,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20 2025-08-31T10:07:59,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20 2025-08-31T10:07:59,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b 2025-08-31T10:07:59,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b 2025-08-31T10:07:59,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b 2025-08-31T10:07:59,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b 2025-08-31T10:07:59,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b 2025-08-31T10:07:59,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b 2025-08-31T10:07:59,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b 2025-08-31T10:07:59,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b 2025-08-31T10:07:59,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12 2025-08-31T10:07:59,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12 2025-08-31T10:07:59,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b 2025-08-31T10:07:59,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b 2025-08-31T10:07:59,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17 2025-08-31T10:07:59,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17 2025-08-31T10:07:59,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a 2025-08-31T10:07:59,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a 2025-08-31T10:07:59,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a 2025-08-31T10:07:59,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a 2025-08-31T10:07:59,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05 2025-08-31T10:07:59,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05 2025-08-31T10:07:59,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b 2025-08-31T10:07:59,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b 2025-08-31T10:07:59,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a 2025-08-31T10:07:59,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a 2025-08-31T10:07:59,481 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b 2025-08-31T10:07:59,482 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b 2025-08-31T10:07:59,485 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a 2025-08-31T10:07:59,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a 2025-08-31T10:07:59,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07 2025-08-31T10:07:59,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07 2025-08-31T10:07:59,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a 2025-08-31T10:07:59,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a 2025-08-31T10:07:59,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a 2025-08-31T10:07:59,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a 2025-08-31T10:07:59,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11 2025-08-31T10:07:59,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11 2025-08-31T10:07:59,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab 2025-08-31T10:07:59,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab 2025-08-31T10:07:59,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag 2025-08-31T10:07:59,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag 2025-08-31T10:07:59,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah 2025-08-31T10:07:59,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah 2025-08-31T10:07:59,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad 2025-08-31T10:07:59,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad 2025-08-31T10:07:59,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag 2025-08-31T10:07:59,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag 2025-08-31T10:07:59,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab 2025-08-31T10:07:59,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab 2025-08-31T10:07:59,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf 2025-08-31T10:07:59,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf 2025-08-31T10:07:59,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae 2025-08-31T10:07:59,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae 2025-08-31T10:07:59,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf 2025-08-31T10:07:59,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf 2025-08-31T10:07:59,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay 2025-08-31T10:07:59,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay 2025-08-31T10:07:59,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag 2025-08-31T10:07:59,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag 2025-08-31T10:07:59,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi 2025-08-31T10:07:59,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi 2025-08-31T10:07:59,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav 2025-08-31T10:07:59,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav 2025-08-31T10:07:59,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj 2025-08-31T10:07:59,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj 2025-08-31T10:07:59,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah 2025-08-31T10:07:59,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah 2025-08-31T10:07:59,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan 2025-08-31T10:07:59,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan 2025-08-31T10:07:59,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao 2025-08-31T10:07:59,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao 2025-08-31T10:07:59,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap 2025-08-31T10:07:59,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap 2025-08-31T10:07:59,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf 2025-08-31T10:07:59,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf 2025-08-31T10:07:59,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah 2025-08-31T10:07:59,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah 2025-08-31T10:07:59,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau 2025-08-31T10:07:59,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau 2025-08-31T10:07:59,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab 2025-08-31T10:07:59,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab 2025-08-31T10:07:59,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf 2025-08-31T10:07:59,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf 2025-08-31T10:07:59,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag 2025-08-31T10:07:59,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag 2025-08-31T10:07:59,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan 2025-08-31T10:07:59,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan 2025-08-31T10:07:59,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad 2025-08-31T10:07:59,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad 2025-08-31T10:07:59,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx 2025-08-31T10:07:59,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx 2025-08-31T10:07:59,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq 2025-08-31T10:07:59,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq 2025-08-31T10:07:59,600 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad 2025-08-31T10:07:59,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad 2025-08-31T10:07:59,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo 2025-08-31T10:07:59,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo 2025-08-31T10:07:59,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac 2025-08-31T10:07:59,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac 2025-08-31T10:07:59,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah 2025-08-31T10:07:59,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah 2025-08-31T10:07:59,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan 2025-08-31T10:07:59,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan 2025-08-31T10:07:59,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar 2025-08-31T10:07:59,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar 2025-08-31T10:07:59,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac 2025-08-31T10:07:59,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac 2025-08-31T10:07:59,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae 2025-08-31T10:07:59,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae 2025-08-31T10:07:59,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal 2025-08-31T10:07:59,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal 2025-08-31T10:07:59,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak 2025-08-31T10:07:59,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak 2025-08-31T10:07:59,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav 2025-08-31T10:07:59,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav 2025-08-31T10:07:59,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar 2025-08-31T10:07:59,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar 2025-08-31T10:07:59,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab 2025-08-31T10:07:59,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab 2025-08-31T10:07:59,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat 2025-08-31T10:07:59,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat 2025-08-31T10:07:59,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab 2025-08-31T10:07:59,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab 2025-08-31T10:07:59,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae 2025-08-31T10:07:59,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae 2025-08-31T10:07:59,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz 2025-08-31T10:07:59,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz 2025-08-31T10:07:59,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak 2025-08-31T10:07:59,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak 2025-08-31T10:07:59,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc 2025-08-31T10:07:59,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc 2025-08-31T10:07:59,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf 2025-08-31T10:07:59,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf 2025-08-31T10:07:59,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah 2025-08-31T10:07:59,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah 2025-08-31T10:07:59,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj 2025-08-31T10:07:59,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj 2025-08-31T10:07:59,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao 2025-08-31T10:07:59,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao 2025-08-31T10:07:59,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad 2025-08-31T10:07:59,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad 2025-08-31T10:07:59,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae 2025-08-31T10:07:59,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae 2025-08-31T10:07:59,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal 2025-08-31T10:07:59,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal 2025-08-31T10:07:59,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb 2025-08-31T10:07:59,691 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb 2025-08-31T10:07:59,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah 2025-08-31T10:07:59,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah 2025-08-31T10:07:59,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar 2025-08-31T10:07:59,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar 2025-08-31T10:07:59,700 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap 2025-08-31T10:07:59,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap 2025-08-31T10:07:59,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab 2025-08-31T10:07:59,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab 2025-08-31T10:07:59,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae 2025-08-31T10:07:59,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae 2025-08-31T10:07:59,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah 2025-08-31T10:07:59,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah 2025-08-31T10:07:59,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab 2025-08-31T10:07:59,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab 2025-08-31T10:07:59,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau 2025-08-31T10:07:59,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau 2025-08-31T10:07:59,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci 2025-08-31T10:07:59,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci 2025-08-31T10:07:59,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag 2025-08-31T10:07:59,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag 2025-08-31T10:07:59,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag 2025-08-31T10:07:59,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag 2025-08-31T10:07:59,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag 2025-08-31T10:07:59,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag 2025-08-31T10:07:59,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam 2025-08-31T10:07:59,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam 2025-08-31T10:07:59,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv 2025-08-31T10:07:59,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv 2025-08-31T10:07:59,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak 2025-08-31T10:07:59,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak 2025-08-31T10:07:59,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai 2025-08-31T10:07:59,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai 2025-08-31T10:07:59,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas 2025-08-31T10:07:59,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas 2025-08-31T10:07:59,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal 2025-08-31T10:07:59,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal 2025-08-31T10:07:59,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq 2025-08-31T10:07:59,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq 2025-08-31T10:07:59,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav 2025-08-31T10:07:59,763 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav 2025-08-31T10:07:59,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac 2025-08-31T10:07:59,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac 2025-08-31T10:07:59,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar 2025-08-31T10:07:59,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar 2025-08-31T10:07:59,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao 2025-08-31T10:07:59,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao 2025-08-31T10:07:59,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag 2025-08-31T10:07:59,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag 2025-08-31T10:07:59,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac 2025-08-31T10:07:59,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac 2025-08-31T10:07:59,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat 2025-08-31T10:07:59,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat 2025-08-31T10:07:59,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai 2025-08-31T10:07:59,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai 2025-08-31T10:07:59,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq 2025-08-31T10:07:59,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq 2025-08-31T10:07:59,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal 2025-08-31T10:07:59,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal 2025-08-31T10:07:59,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad 2025-08-31T10:07:59,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad 2025-08-31T10:07:59,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq 2025-08-31T10:07:59,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq 2025-08-31T10:07:59,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah 2025-08-31T10:07:59,808 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah 2025-08-31T10:07:59,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby 2025-08-31T10:07:59,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby 2025-08-31T10:07:59,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw 2025-08-31T10:07:59,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw 2025-08-31T10:07:59,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm 2025-08-31T10:07:59,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm 2025-08-31T10:07:59,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj 2025-08-31T10:07:59,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj 2025-08-31T10:07:59,827 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak 2025-08-31T10:07:59,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak 2025-08-31T10:07:59,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf 2025-08-31T10:07:59,831 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf 2025-08-31T10:07:59,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap 2025-08-31T10:07:59,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap 2025-08-31T10:07:59,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal 2025-08-31T10:07:59,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal 2025-08-31T10:07:59,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai 2025-08-31T10:07:59,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai 2025-08-31T10:07:59,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad 2025-08-31T10:07:59,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad 2025-08-31T10:07:59,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan 2025-08-31T10:07:59,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan 2025-08-31T10:07:59,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak 2025-08-31T10:07:59,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak 2025-08-31T10:07:59,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad 2025-08-31T10:07:59,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad 2025-08-31T10:07:59,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5 2025-08-31T10:07:59,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5 2025-08-31T10:07:59,864 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29 2025-08-31T10:07:59,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29 2025-08-31T10:07:59,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1 2025-08-31T10:07:59,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1 2025-08-31T10:07:59,871 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13 2025-08-31T10:07:59,872 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13 2025-08-31T10:07:59,874 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17 2025-08-31T10:07:59,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17 2025-08-31T10:07:59,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18 2025-08-31T10:07:59,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18 2025-08-31T10:07:59,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17 2025-08-31T10:07:59,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17 2025-08-31T10:07:59,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15 2025-08-31T10:07:59,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15 2025-08-31T10:07:59,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32 2025-08-31T10:07:59,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32 2025-08-31T10:07:59,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12 2025-08-31T10:07:59,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12 2025-08-31T10:07:59,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28 2025-08-31T10:07:59,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28 2025-08-31T10:07:59,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33 2025-08-31T10:07:59,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33 2025-08-31T10:07:59,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18 2025-08-31T10:07:59,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18 2025-08-31T10:07:59,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7 2025-08-31T10:07:59,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7 2025-08-31T10:07:59,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20 2025-08-31T10:07:59,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20 2025-08-31T10:07:59,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14 2025-08-31T10:07:59,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14 2025-08-31T10:07:59,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25 2025-08-31T10:07:59,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25 2025-08-31T10:07:59,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23 2025-08-31T10:07:59,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23 2025-08-31T10:07:59,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8 2025-08-31T10:07:59,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8 2025-08-31T10:07:59,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3 2025-08-31T10:07:59,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3 2025-08-31T10:07:59,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4 2025-08-31T10:07:59,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4 2025-08-31T10:07:59,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7 2025-08-31T10:07:59,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7 2025-08-31T10:07:59,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19 2025-08-31T10:07:59,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19 2025-08-31T10:07:59,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27 2025-08-31T10:07:59,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27 2025-08-31T10:07:59,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30 2025-08-31T10:07:59,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30 2025-08-31T10:07:59,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33 2025-08-31T10:07:59,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33 2025-08-31T10:07:59,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9 2025-08-31T10:07:59,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9 2025-08-31T10:07:59,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27 2025-08-31T10:07:59,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27 2025-08-31T10:07:59,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25 2025-08-31T10:07:59,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25 2025-08-31T10:07:59,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16 2025-08-31T10:07:59,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16 2025-08-31T10:07:59,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21 2025-08-31T10:07:59,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21 2025-08-31T10:07:59,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12 2025-08-31T10:07:59,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12 2025-08-31T10:07:59,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6 2025-08-31T10:07:59,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6 2025-08-31T10:07:59,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31 2025-08-31T10:07:59,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31 2025-08-31T10:07:59,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4 2025-08-31T10:07:59,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4 2025-08-31T10:07:59,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16 2025-08-31T10:07:59,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16 2025-08-31T10:07:59,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20 2025-08-31T10:07:59,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20 2025-08-31T10:07:59,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13 2025-08-31T10:07:59,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13 2025-08-31T10:08:00,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30 2025-08-31T10:08:00,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30 2025-08-31T10:08:00,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24 2025-08-31T10:08:00,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24 2025-08-31T10:08:00,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34 2025-08-31T10:08:00,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34 2025-08-31T10:08:00,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24 2025-08-31T10:08:00,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24 2025-08-31T10:08:00,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34 2025-08-31T10:08:00,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34 2025-08-31T10:08:00,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31 2025-08-31T10:08:00,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31 2025-08-31T10:08:00,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22 2025-08-31T10:08:00,021 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22 2025-08-31T10:08:00,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8 2025-08-31T10:08:00,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8 2025-08-31T10:08:00,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23 2025-08-31T10:08:00,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23 2025-08-31T10:08:00,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1 2025-08-31T10:08:00,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1 2025-08-31T10:08:00,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26 2025-08-31T10:08:00,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26 2025-08-31T10:08:00,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10 2025-08-31T10:08:00,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10 2025-08-31T10:08:00,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21 2025-08-31T10:08:00,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21 2025-08-31T10:08:00,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9 2025-08-31T10:08:00,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9 2025-08-31T10:08:00,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14 2025-08-31T10:08:00,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14 2025-08-31T10:08:00,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11 2025-08-31T10:08:00,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11 2025-08-31T10:08:00,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32 2025-08-31T10:08:00,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32 2025-08-31T10:08:00,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15 2025-08-31T10:08:00,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15 2025-08-31T10:08:00,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28 2025-08-31T10:08:00,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28 2025-08-31T10:08:00,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26 2025-08-31T10:08:00,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26 2025-08-31T10:08:00,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29 2025-08-31T10:08:00,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29 2025-08-31T10:08:00,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3 2025-08-31T10:08:00,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3 2025-08-31T10:08:00,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2 2025-08-31T10:08:00,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2 2025-08-31T10:08:00,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10 2025-08-31T10:08:00,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10 2025-08-31T10:08:00,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11 2025-08-31T10:08:00,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11 2025-08-31T10:08:00,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2 2025-08-31T10:08:00,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2 2025-08-31T10:08:00,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+ 2025-08-31T10:08:00,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+ 2025-08-31T10:08:00,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+ 2025-08-31T10:08:00,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+ 2025-08-31T10:08:00,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+ 2025-08-31T10:08:00,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+ 2025-08-31T10:08:00,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3 2025-08-31T10:08:00,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3 2025-08-31T10:08:00,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be 2025-08-31T10:08:00,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be 2025-08-31T10:08:00,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4 2025-08-31T10:08:00,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4 2025-08-31T10:08:00,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+ 2025-08-31T10:08:00,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+ 2025-08-31T10:08:00,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+ 2025-08-31T10:08:00,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+ 2025-08-31T10:08:00,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+ 2025-08-31T10:08:00,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+ 2025-08-31T10:08:00,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+ 2025-08-31T10:08:00,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+ 2025-08-31T10:08:00,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3 2025-08-31T10:08:00,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3 2025-08-31T10:08:00,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+ 2025-08-31T10:08:00,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+ 2025-08-31T10:08:00,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg 2025-08-31T10:08:00,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg 2025-08-31T10:08:00,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s 2025-08-31T10:08:00,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s 2025-08-31T10:08:00,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o 2025-08-31T10:08:00,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o 2025-08-31T10:08:00,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+ 2025-08-31T10:08:00,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+ 2025-08-31T10:08:00,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6 2025-08-31T10:08:00,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6 2025-08-31T10:08:00,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+ 2025-08-31T10:08:00,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+ 2025-08-31T10:08:00,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4 2025-08-31T10:08:00,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4 2025-08-31T10:08:00,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62 2025-08-31T10:08:00,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62 2025-08-31T10:08:00,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24 2025-08-31T10:08:00,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24 2025-08-31T10:08:00,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13 2025-08-31T10:08:00,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13 2025-08-31T10:08:00,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42 2025-08-31T10:08:00,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42 2025-08-31T10:08:00,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63 2025-08-31T10:08:00,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63 2025-08-31T10:08:00,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11 2025-08-31T10:08:00,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11 2025-08-31T10:08:00,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10 2025-08-31T10:08:00,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10 2025-08-31T10:08:00,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27 2025-08-31T10:08:00,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27 2025-08-31T10:08:00,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15 2025-08-31T10:08:00,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15 2025-08-31T10:08:00,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21 2025-08-31T10:08:00,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21 2025-08-31T10:08:00,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56 2025-08-31T10:08:00,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56 2025-08-31T10:08:00,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45 2025-08-31T10:08:00,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45 2025-08-31T10:08:00,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3 2025-08-31T10:08:00,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3 2025-08-31T10:08:00,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64 2025-08-31T10:08:00,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64 2025-08-31T10:08:00,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49 2025-08-31T10:08:00,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49 2025-08-31T10:08:00,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44 2025-08-31T10:08:00,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44 2025-08-31T10:08:00,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32 2025-08-31T10:08:00,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32 2025-08-31T10:08:00,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20 2025-08-31T10:08:00,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20 2025-08-31T10:08:00,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35 2025-08-31T10:08:00,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35 2025-08-31T10:08:00,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40 2025-08-31T10:08:00,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40 2025-08-31T10:08:00,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25 2025-08-31T10:08:00,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25 2025-08-31T10:08:00,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14 2025-08-31T10:08:00,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14 2025-08-31T10:08:00,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29 2025-08-31T10:08:00,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29 2025-08-31T10:08:00,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4 2025-08-31T10:08:00,233 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4 2025-08-31T10:08:00,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22 2025-08-31T10:08:00,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22 2025-08-31T10:08:00,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16 2025-08-31T10:08:00,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16 2025-08-31T10:08:00,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34 2025-08-31T10:08:00,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34 2025-08-31T10:08:00,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28 2025-08-31T10:08:00,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28 2025-08-31T10:08:00,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2 2025-08-31T10:08:00,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2 2025-08-31T10:08:00,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9 2025-08-31T10:08:00,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9 2025-08-31T10:08:00,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18 2025-08-31T10:08:00,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18 2025-08-31T10:08:00,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19 2025-08-31T10:08:00,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19 2025-08-31T10:08:00,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50 2025-08-31T10:08:00,263 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50 2025-08-31T10:08:00,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57 2025-08-31T10:08:00,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57 2025-08-31T10:08:00,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41 2025-08-31T10:08:00,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41 2025-08-31T10:08:00,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1 2025-08-31T10:08:00,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1 2025-08-31T10:08:00,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31 2025-08-31T10:08:00,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31 2025-08-31T10:08:00,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38 2025-08-31T10:08:00,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38 2025-08-31T10:08:00,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8 2025-08-31T10:08:00,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8 2025-08-31T10:08:00,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65 2025-08-31T10:08:00,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65 2025-08-31T10:08:00,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12 2025-08-31T10:08:00,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12 2025-08-31T10:08:00,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51 2025-08-31T10:08:00,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51 2025-08-31T10:08:00,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55 2025-08-31T10:08:00,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55 2025-08-31T10:08:00,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17 2025-08-31T10:08:00,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17 2025-08-31T10:08:00,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33 2025-08-31T10:08:00,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33 2025-08-31T10:08:00,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59 2025-08-31T10:08:00,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59 2025-08-31T10:08:00,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37 2025-08-31T10:08:00,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37 2025-08-31T10:08:00,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47 2025-08-31T10:08:00,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47 2025-08-31T10:08:00,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48 2025-08-31T10:08:00,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48 2025-08-31T10:08:00,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53 2025-08-31T10:08:00,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53 2025-08-31T10:08:00,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61 2025-08-31T10:08:00,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61 2025-08-31T10:08:00,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6 2025-08-31T10:08:00,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6 2025-08-31T10:08:00,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39 2025-08-31T10:08:00,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39 2025-08-31T10:08:00,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54 2025-08-31T10:08:00,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54 2025-08-31T10:08:00,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5 2025-08-31T10:08:00,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5 2025-08-31T10:08:00,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60 2025-08-31T10:08:00,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60 2025-08-31T10:08:00,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7 2025-08-31T10:08:00,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7 2025-08-31T10:08:00,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43 2025-08-31T10:08:00,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43 2025-08-31T10:08:00,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26 2025-08-31T10:08:00,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26 2025-08-31T10:08:00,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23 2025-08-31T10:08:00,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23 2025-08-31T10:08:00,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36 2025-08-31T10:08:00,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36 2025-08-31T10:08:00,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58 2025-08-31T10:08:00,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58 2025-08-31T10:08:00,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52 2025-08-31T10:08:00,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52 2025-08-31T10:08:00,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46 2025-08-31T10:08:00,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46 2025-08-31T10:08:00,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30 2025-08-31T10:08:00,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30 2025-08-31T10:08:00,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51 2025-08-31T10:08:00,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51 2025-08-31T10:08:00,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49 2025-08-31T10:08:00,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49 2025-08-31T10:08:00,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45 2025-08-31T10:08:00,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45 2025-08-31T10:08:00,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48 2025-08-31T10:08:00,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48 2025-08-31T10:08:00,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46 2025-08-31T10:08:00,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46 2025-08-31T10:08:00,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40 2025-08-31T10:08:00,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40 2025-08-31T10:08:00,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60 2025-08-31T10:08:00,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60 2025-08-31T10:08:00,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40 2025-08-31T10:08:00,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40 2025-08-31T10:08:00,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56 2025-08-31T10:08:00,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56 2025-08-31T10:08:00,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22 2025-08-31T10:08:00,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22 2025-08-31T10:08:00,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49 2025-08-31T10:08:00,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49 2025-08-31T10:08:00,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26 2025-08-31T10:08:00,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26 2025-08-31T10:08:00,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51 2025-08-31T10:08:00,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51 2025-08-31T10:08:00,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44 2025-08-31T10:08:00,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44 2025-08-31T10:08:00,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47 2025-08-31T10:08:00,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47 2025-08-31T10:08:00,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20 2025-08-31T10:08:00,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20 2025-08-31T10:08:00,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25 2025-08-31T10:08:00,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25 2025-08-31T10:08:00,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28 2025-08-31T10:08:00,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28 2025-08-31T10:08:00,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48 2025-08-31T10:08:00,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48 2025-08-31T10:08:00,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56 2025-08-31T10:08:00,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56 2025-08-31T10:08:00,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43 2025-08-31T10:08:00,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43 2025-08-31T10:08:00,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45 2025-08-31T10:08:00,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45 2025-08-31T10:08:00,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46 2025-08-31T10:08:00,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46 2025-08-31T10:08:00,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22 2025-08-31T10:08:00,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22 2025-08-31T10:08:00,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52 2025-08-31T10:08:00,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52 2025-08-31T10:08:00,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44 2025-08-31T10:08:00,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44 2025-08-31T10:08:00,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20 2025-08-31T10:08:00,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20 2025-08-31T10:08:00,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21 2025-08-31T10:08:00,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21 2025-08-31T10:08:00,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26 2025-08-31T10:08:00,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26 2025-08-31T10:08:00,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25 2025-08-31T10:08:00,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25 2025-08-31T10:08:00,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52 2025-08-31T10:08:00,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52 2025-08-31T10:08:00,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47 2025-08-31T10:08:00,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47 2025-08-31T10:08:00,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57 2025-08-31T10:08:00,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57 2025-08-31T10:08:00,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43 2025-08-31T10:08:00,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43 2025-08-31T10:08:00,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29 2025-08-31T10:08:00,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29 2025-08-31T10:08:00,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60 2025-08-31T10:08:00,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60 2025-08-31T10:08:00,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e 2025-08-31T10:08:00,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e 2025-08-31T10:08:00,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3 2025-08-31T10:08:00,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3 2025-08-31T10:08:00,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2 2025-08-31T10:08:00,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2 2025-08-31T10:08:00,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1 2025-08-31T10:08:00,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1 2025-08-31T10:08:00,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1 2025-08-31T10:08:00,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1 2025-08-31T10:08:00,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e 2025-08-31T10:08:00,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e 2025-08-31T10:08:00,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p 2025-08-31T10:08:00,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p 2025-08-31T10:08:00,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr 2025-08-31T10:08:00,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr 2025-08-31T10:08:00,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e 2025-08-31T10:08:00,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e 2025-08-31T10:08:00,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e 2025-08-31T10:08:00,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e 2025-08-31T10:08:00,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1 2025-08-31T10:08:00,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1 2025-08-31T10:08:00,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2 2025-08-31T10:08:00,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2 2025-08-31T10:08:00,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2 2025-08-31T10:08:00,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2 2025-08-31T10:08:00,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1 2025-08-31T10:08:00,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1 2025-08-31T10:08:00,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4 2025-08-31T10:08:00,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4 2025-08-31T10:08:00,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1 2025-08-31T10:08:00,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1 2025-08-31T10:08:00,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6 2025-08-31T10:08:00,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6 2025-08-31T10:08:00,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2 2025-08-31T10:08:00,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2 2025-08-31T10:08:00,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p 2025-08-31T10:08:00,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p 2025-08-31T10:08:00,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1 2025-08-31T10:08:00,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1 2025-08-31T10:08:00,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3 2025-08-31T10:08:00,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3 2025-08-31T10:08:00,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene 2025-08-31T10:08:00,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene 2025-08-31T10:08:00,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e 2025-08-31T10:08:00,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e 2025-08-31T10:08:00,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me 2025-08-31T10:08:00,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me 2025-08-31T10:08:00,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2 2025-08-31T10:08:00,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2 2025-08-31T10:08:00,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e 2025-08-31T10:08:00,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e 2025-08-31T10:08:00,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1 2025-08-31T10:08:00,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1 2025-08-31T10:08:00,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1 2025-08-31T10:08:00,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1 2025-08-31T10:08:00,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1 2025-08-31T10:08:00,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1 2025-08-31T10:08:00,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3 2025-08-31T10:08:00,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3 2025-08-31T10:08:00,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e 2025-08-31T10:08:00,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e 2025-08-31T10:08:00,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int 2025-08-31T10:08:00,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int 2025-08-31T10:08:00,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e 2025-08-31T10:08:00,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e 2025-08-31T10:08:00,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2 2025-08-31T10:08:00,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2 2025-08-31T10:08:00,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e 2025-08-31T10:08:00,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e 2025-08-31T10:08:00,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3 2025-08-31T10:08:00,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3 2025-08-31T10:08:00,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3 2025-08-31T10:08:00,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3 2025-08-31T10:08:00,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3 2025-08-31T10:08:00,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3 2025-08-31T10:08:00,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5 2025-08-31T10:08:00,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5 2025-08-31T10:08:00,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2 2025-08-31T10:08:00,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2 2025-08-31T10:08:00,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e 2025-08-31T10:08:00,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e 2025-08-31T10:08:00,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl 2025-08-31T10:08:00,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl 2025-08-31T10:08:00,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3 2025-08-31T10:08:00,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3 2025-08-31T10:08:00,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n 2025-08-31T10:08:00,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n 2025-08-31T10:08:00,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2 2025-08-31T10:08:00,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2 2025-08-31T10:08:00,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A 2025-08-31T10:08:00,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A 2025-08-31T10:08:00,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s 2025-08-31T10:08:00,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s 2025-08-31T10:08:00,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5 2025-08-31T10:08:00,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5 2025-08-31T10:08:00,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he 2025-08-31T10:08:00,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he 2025-08-31T10:08:00,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68 2025-08-31T10:08:00,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68 2025-08-31T10:08:00,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74 2025-08-31T10:08:00,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74 2025-08-31T10:08:00,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71 2025-08-31T10:08:00,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71 2025-08-31T10:08:00,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1 2025-08-31T10:08:00,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1 2025-08-31T10:08:00,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans 2025-08-31T10:08:00,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans 2025-08-31T10:08:00,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar 2025-08-31T10:08:00,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar 2025-08-31T10:08:00,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh 2025-08-31T10:08:00,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh 2025-08-31T10:08:00,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80 2025-08-31T10:08:00,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80 2025-08-31T10:08:00,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2 2025-08-31T10:08:00,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2 2025-08-31T10:08:00,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S 2025-08-31T10:08:00,691 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S 2025-08-31T10:08:00,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts 2025-08-31T10:08:00,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts 2025-08-31T10:08:00,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A 2025-08-31T10:08:00,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A 2025-08-31T10:08:00,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh 2025-08-31T10:08:00,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh 2025-08-31T10:08:00,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc 2025-08-31T10:08:00,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc 2025-08-31T10:08:00,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4 2025-08-31T10:08:00,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4 2025-08-31T10:08:00,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75 2025-08-31T10:08:00,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75 2025-08-31T10:08:00,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1 2025-08-31T10:08:00,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1 2025-08-31T10:08:00,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis 2025-08-31T10:08:00,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis 2025-08-31T10:08:00,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8 2025-08-31T10:08:00,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8 2025-08-31T10:08:00,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76 2025-08-31T10:08:00,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76 2025-08-31T10:08:00,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2 2025-08-31T10:08:00,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2 2025-08-31T10:08:00,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr 2025-08-31T10:08:00,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr 2025-08-31T10:08:00,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2 2025-08-31T10:08:00,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2 2025-08-31T10:08:00,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf 2025-08-31T10:08:00,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf 2025-08-31T10:08:00,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf 2025-08-31T10:08:00,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf 2025-08-31T10:08:00,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al 2025-08-31T10:08:00,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al 2025-08-31T10:08:00,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k 2025-08-31T10:08:00,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k 2025-08-31T10:08:00,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3 2025-08-31T10:08:00,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3 2025-08-31T10:08:00,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c 2025-08-31T10:08:00,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c 2025-08-31T10:08:00,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be 2025-08-31T10:08:00,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be 2025-08-31T10:08:00,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis 2025-08-31T10:08:00,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis 2025-08-31T10:08:00,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p 2025-08-31T10:08:00,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p 2025-08-31T10:08:00,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2 2025-08-31T10:08:00,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2 2025-08-31T10:08:00,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B 2025-08-31T10:08:00,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B 2025-08-31T10:08:00,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+ 2025-08-31T10:08:00,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+ 2025-08-31T10:08:00,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar 2025-08-31T10:08:00,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar 2025-08-31T10:08:00,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH 2025-08-31T10:08:00,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH 2025-08-31T10:08:00,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64 2025-08-31T10:08:00,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64 2025-08-31T10:08:00,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2 2025-08-31T10:08:00,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2 2025-08-31T10:08:00,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34 2025-08-31T10:08:00,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34 2025-08-31T10:08:00,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s 2025-08-31T10:08:00,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s 2025-08-31T10:08:00,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco 2025-08-31T10:08:00,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco 2025-08-31T10:08:00,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr 2025-08-31T10:08:00,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr 2025-08-31T10:08:00,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20 2025-08-31T10:08:00,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20 2025-08-31T10:08:00,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73 2025-08-31T10:08:00,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73 2025-08-31T10:08:00,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2 2025-08-31T10:08:00,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2 2025-08-31T10:08:00,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b 2025-08-31T10:08:00,812 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b 2025-08-31T10:08:00,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf 2025-08-31T10:08:00,815 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf 2025-08-31T10:08:00,817 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+ 2025-08-31T10:08:00,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+ 2025-08-31T10:08:00,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2 2025-08-31T10:08:00,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2 2025-08-31T10:08:00,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2 2025-08-31T10:08:00,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2 2025-08-31T10:08:00,827 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a 2025-08-31T10:08:00,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a 2025-08-31T10:08:00,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3 2025-08-31T10:08:00,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3 2025-08-31T10:08:00,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3 2025-08-31T10:08:00,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3 2025-08-31T10:08:00,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+ 2025-08-31T10:08:00,838 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+ 2025-08-31T10:08:00,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f 2025-08-31T10:08:00,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f 2025-08-31T10:08:00,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic 2025-08-31T10:08:00,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic 2025-08-31T10:08:00,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts 2025-08-31T10:08:00,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts 2025-08-31T10:08:00,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18 2025-08-31T10:08:00,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18 2025-08-31T10:08:00,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS 2025-08-31T10:08:00,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS 2025-08-31T10:08:00,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH 2025-08-31T10:08:00,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH 2025-08-31T10:08:00,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59 2025-08-31T10:08:00,862 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59 2025-08-31T10:08:00,864 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20 2025-08-31T10:08:00,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20 2025-08-31T10:08:00,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40 2025-08-31T10:08:00,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40 2025-08-31T10:08:00,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2 2025-08-31T10:08:00,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2 2025-08-31T10:08:00,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr 2025-08-31T10:08:00,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr 2025-08-31T10:08:00,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr 2025-08-31T10:08:00,878 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr 2025-08-31T10:08:00,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47 2025-08-31T10:08:00,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47 2025-08-31T10:08:00,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67 2025-08-31T10:08:00,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67 2025-08-31T10:08:00,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2 2025-08-31T10:08:00,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2 2025-08-31T10:08:00,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o 2025-08-31T10:08:00,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o 2025-08-31T10:08:00,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne 2025-08-31T10:08:00,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne 2025-08-31T10:08:00,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17 2025-08-31T10:08:00,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17 2025-08-31T10:08:00,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13 2025-08-31T10:08:00,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13 2025-08-31T10:08:00,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4 2025-08-31T10:08:00,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4 2025-08-31T10:08:00,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH 2025-08-31T10:08:00,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH 2025-08-31T10:08:00,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12 2025-08-31T10:08:00,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12 2025-08-31T10:08:00,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58 2025-08-31T10:08:00,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58 2025-08-31T10:08:00,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1 2025-08-31T10:08:00,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1 2025-08-31T10:08:00,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3 2025-08-31T10:08:00,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3 2025-08-31T10:08:00,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts 2025-08-31T10:08:00,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts 2025-08-31T10:08:00,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25 2025-08-31T10:08:00,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25 2025-08-31T10:08:00,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+ 2025-08-31T10:08:00,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+ 2025-08-31T10:08:00,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4 2025-08-31T10:08:00,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4 2025-08-31T10:08:00,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4 2025-08-31T10:08:00,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4 2025-08-31T10:08:00,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs 2025-08-31T10:08:00,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs 2025-08-31T10:08:00,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn 2025-08-31T10:08:00,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn 2025-08-31T10:08:00,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B 2025-08-31T10:08:00,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B 2025-08-31T10:08:00,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25 2025-08-31T10:08:00,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25 2025-08-31T10:08:00,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6 2025-08-31T10:08:00,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6 2025-08-31T10:08:00,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25 2025-08-31T10:08:00,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25 2025-08-31T10:08:00,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4 2025-08-31T10:08:00,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4 2025-08-31T10:08:00,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B 2025-08-31T10:08:00,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B 2025-08-31T10:08:00,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe 2025-08-31T10:08:00,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe 2025-08-31T10:08:00,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao 2025-08-31T10:08:00,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao 2025-08-31T10:08:00,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp 2025-08-31T10:08:00,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp 2025-08-31T10:08:00,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1 2025-08-31T10:08:00,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1 2025-08-31T10:08:00,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20 2025-08-31T10:08:00,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20 2025-08-31T10:08:00,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p 2025-08-31T10:08:00,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p 2025-08-31T10:08:00,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg 2025-08-31T10:08:00,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg 2025-08-31T10:08:00,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14 2025-08-31T10:08:00,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14 2025-08-31T10:08:00,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2 2025-08-31T10:08:00,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2 2025-08-31T10:08:00,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24 2025-08-31T10:08:00,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24 2025-08-31T10:08:00,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n 2025-08-31T10:08:01,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n 2025-08-31T10:08:01,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s 2025-08-31T10:08:01,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s 2025-08-31T10:08:01,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl 2025-08-31T10:08:01,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl 2025-08-31T10:08:01,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45 2025-08-31T10:08:01,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45 2025-08-31T10:08:01,013 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl 2025-08-31T10:08:01,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl 2025-08-31T10:08:01,016 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78 2025-08-31T10:08:01,017 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78 2025-08-31T10:08:01,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b 2025-08-31T10:08:01,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b 2025-08-31T10:08:01,023 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B 2025-08-31T10:08:01,024 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B 2025-08-31T10:08:01,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl 2025-08-31T10:08:01,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl 2025-08-31T10:08:01,029 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10 2025-08-31T10:08:01,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10 2025-08-31T10:08:01,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n 2025-08-31T10:08:01,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n 2025-08-31T10:08:01,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2 2025-08-31T10:08:01,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2 2025-08-31T10:08:01,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20 2025-08-31T10:08:01,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20 2025-08-31T10:08:01,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5 2025-08-31T10:08:01,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5 2025-08-31T10:08:01,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43 2025-08-31T10:08:01,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43 2025-08-31T10:08:01,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h 2025-08-31T10:08:01,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h 2025-08-31T10:08:01,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3 2025-08-31T10:08:01,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3 2025-08-31T10:08:01,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A 2025-08-31T10:08:01,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A 2025-08-31T10:08:01,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s- 2025-08-31T10:08:01,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s- 2025-08-31T10:08:01,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca 2025-08-31T10:08:01,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca 2025-08-31T10:08:01,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02 2025-08-31T10:08:01,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02 2025-08-31T10:08:01,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+ 2025-08-31T10:08:01,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+ 2025-08-31T10:08:01,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl 2025-08-31T10:08:01,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl 2025-08-31T10:08:01,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A 2025-08-31T10:08:01,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A 2025-08-31T10:08:01,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si 2025-08-31T10:08:01,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si 2025-08-31T10:08:01,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A 2025-08-31T10:08:01,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A 2025-08-31T10:08:01,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A 2025-08-31T10:08:01,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A 2025-08-31T10:08:01,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots 2025-08-31T10:08:01,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots 2025-08-31T10:08:01,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n 2025-08-31T10:08:01,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n 2025-08-31T10:08:01,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A 2025-08-31T10:08:01,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A 2025-08-31T10:08:01,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n 2025-08-31T10:08:01,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n 2025-08-31T10:08:01,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi 2025-08-31T10:08:01,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi 2025-08-31T10:08:01,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O 2025-08-31T10:08:01,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O 2025-08-31T10:08:01,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2 2025-08-31T10:08:01,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2 2025-08-31T10:08:01,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne 2025-08-31T10:08:01,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne 2025-08-31T10:08:01,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn 2025-08-31T10:08:01,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn 2025-08-31T10:08:01,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2 2025-08-31T10:08:01,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2 2025-08-31T10:08:01,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B 2025-08-31T10:08:01,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B 2025-08-31T10:08:01,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B 2025-08-31T10:08:01,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B 2025-08-31T10:08:01,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p 2025-08-31T10:08:01,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p 2025-08-31T10:08:01,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39 2025-08-31T10:08:01,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39 2025-08-31T10:08:01,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f 2025-08-31T10:08:01,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f 2025-08-31T10:08:01,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo 2025-08-31T10:08:01,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo 2025-08-31T10:08:01,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm 2025-08-31T10:08:01,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm 2025-08-31T10:08:01,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS 2025-08-31T10:08:01,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS 2025-08-31T10:08:01,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo 2025-08-31T10:08:01,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo 2025-08-31T10:08:01,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s 2025-08-31T10:08:01,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s 2025-08-31T10:08:01,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp 2025-08-31T10:08:01,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp 2025-08-31T10:08:01,159 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+ 2025-08-31T10:08:01,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+ 2025-08-31T10:08:01,162 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48 2025-08-31T10:08:01,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48 2025-08-31T10:08:01,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh 2025-08-31T10:08:01,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh 2025-08-31T10:08:01,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl 2025-08-31T10:08:01,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl 2025-08-31T10:08:01,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl 2025-08-31T10:08:01,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl 2025-08-31T10:08:01,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O 2025-08-31T10:08:01,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O 2025-08-31T10:08:01,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A 2025-08-31T10:08:01,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A 2025-08-31T10:08:01,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21 2025-08-31T10:08:01,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21 2025-08-31T10:08:01,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B 2025-08-31T10:08:01,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B 2025-08-31T10:08:01,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2 2025-08-31T10:08:01,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2 2025-08-31T10:08:01,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+ 2025-08-31T10:08:01,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+ 2025-08-31T10:08:01,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43 2025-08-31T10:08:01,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43 2025-08-31T10:08:01,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0 2025-08-31T10:08:01,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0 2025-08-31T10:08:01,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3 2025-08-31T10:08:01,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3 2025-08-31T10:08:01,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42 2025-08-31T10:08:01,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42 2025-08-31T10:08:01,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2 2025-08-31T10:08:01,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2 2025-08-31T10:08:01,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72 2025-08-31T10:08:01,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72 2025-08-31T10:08:01,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4 2025-08-31T10:08:01,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4 2025-08-31T10:08:01,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72 2025-08-31T10:08:01,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72 2025-08-31T10:08:01,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1 2025-08-31T10:08:01,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1 2025-08-31T10:08:01,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71 2025-08-31T10:08:01,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71 2025-08-31T10:08:01,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41 2025-08-31T10:08:01,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41 2025-08-31T10:08:01,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2 2025-08-31T10:08:01,233 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2 2025-08-31T10:08:01,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1 2025-08-31T10:08:01,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1 2025-08-31T10:08:01,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3 2025-08-31T10:08:01,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3 2025-08-31T10:08:01,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2 2025-08-31T10:08:01,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2 2025-08-31T10:08:01,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3 2025-08-31T10:08:01,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3 2025-08-31T10:08:01,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42 2025-08-31T10:08:01,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42 2025-08-31T10:08:01,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0 2025-08-31T10:08:01,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0 2025-08-31T10:08:01,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41 2025-08-31T10:08:01,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41 2025-08-31T10:08:01,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2 2025-08-31T10:08:01,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2 2025-08-31T10:08:01,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42 2025-08-31T10:08:01,263 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42 2025-08-31T10:08:01,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0 2025-08-31T10:08:01,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0 2025-08-31T10:08:01,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3 2025-08-31T10:08:01,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3 2025-08-31T10:08:01,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1 2025-08-31T10:08:01,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1 2025-08-31T10:08:01,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71 2025-08-31T10:08:01,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71 2025-08-31T10:08:01,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2 2025-08-31T10:08:01,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2 2025-08-31T10:08:01,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1 2025-08-31T10:08:01,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1 2025-08-31T10:08:01,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0 2025-08-31T10:08:01,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0 2025-08-31T10:08:01,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41 2025-08-31T10:08:01,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41 2025-08-31T10:08:01,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0 2025-08-31T10:08:01,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0 2025-08-31T10:08:01,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2 2025-08-31T10:08:01,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2 2025-08-31T10:08:01,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22 2025-08-31T10:08:01,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22 2025-08-31T10:08:01,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f 2025-08-31T10:08:01,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f 2025-08-31T10:08:01,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1 2025-08-31T10:08:01,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1 2025-08-31T10:08:01,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2 2025-08-31T10:08:01,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2 2025-08-31T10:08:01,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2 2025-08-31T10:08:01,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2 2025-08-31T10:08:01,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f 2025-08-31T10:08:01,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f 2025-08-31T10:08:01,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l 2025-08-31T10:08:01,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l 2025-08-31T10:08:01,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant 2025-08-31T10:08:01,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant 2025-08-31T10:08:01,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene 2025-08-31T10:08:01,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene 2025-08-31T10:08:01,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer 2025-08-31T10:08:01,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer 2025-08-31T10:08:01,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l 2025-08-31T10:08:01,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l 2025-08-31T10:08:01,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1 2025-08-31T10:08:01,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1 2025-08-31T10:08:01,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2 2025-08-31T10:08:01,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2 2025-08-31T10:08:01,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole 2025-08-31T10:08:01,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole 2025-08-31T10:08:01,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS 2025-08-31T10:08:01,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS 2025-08-31T10:08:01,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S 2025-08-31T10:08:01,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S 2025-08-31T10:08:01,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2025-08-31T10:08:01,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2025-08-31T10:08:01,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene 2025-08-31T10:08:01,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene 2025-08-31T10:08:01,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS 2025-08-31T10:08:01,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS 2025-08-31T10:08:01,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS 2025-08-31T10:08:01,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS 2025-08-31T10:08:01,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene 2025-08-31T10:08:01,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene 2025-08-31T10:08:01,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2 2025-08-31T10:08:01,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2 2025-08-31T10:08:01,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene 2025-08-31T10:08:01,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene 2025-08-31T10:08:01,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene 2025-08-31T10:08:01,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene 2025-08-31T10:08:01,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS 2025-08-31T10:08:01,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS 2025-08-31T10:08:01,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine 2025-08-31T10:08:01,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine 2025-08-31T10:08:01,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS 2025-08-31T10:08:01,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS 2025-08-31T10:08:01,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS 2025-08-31T10:08:01,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS 2025-08-31T10:08:01,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS 2025-08-31T10:08:01,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS 2025-08-31T10:08:01,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS 2025-08-31T10:08:01,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS 2025-08-31T10:08:01,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS 2025-08-31T10:08:01,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS 2025-08-31T10:08:01,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS 2025-08-31T10:08:01,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS 2025-08-31T10:08:01,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS 2025-08-31T10:08:01,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS 2025-08-31T10:08:01,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS 2025-08-31T10:08:01,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS 2025-08-31T10:08:01,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene 2025-08-31T10:08:01,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene 2025-08-31T10:08:01,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether 2025-08-31T10:08:01,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether 2025-08-31T10:08:01,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene 2025-08-31T10:08:01,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene 2025-08-31T10:08:01,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph 2025-08-31T10:08:01,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph 2025-08-31T10:08:01,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS 2025-08-31T10:08:01,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS 2025-08-31T10:08:01,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3 2025-08-31T10:08:01,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3 2025-08-31T10:08:01,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene 2025-08-31T10:08:01,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene 2025-08-31T10:08:01,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS 2025-08-31T10:08:01,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS 2025-08-31T10:08:01,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3 2025-08-31T10:08:01,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3 2025-08-31T10:08:01,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene 2025-08-31T10:08:01,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene 2025-08-31T10:08:01,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS 2025-08-31T10:08:01,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS 2025-08-31T10:08:01,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS 2025-08-31T10:08:01,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS 2025-08-31T10:08:01,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene 2025-08-31T10:08:01,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene 2025-08-31T10:08:01,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene 2025-08-31T10:08:01,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene 2025-08-31T10:08:01,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS 2025-08-31T10:08:01,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS 2025-08-31T10:08:01,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether 2025-08-31T10:08:01,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether 2025-08-31T10:08:01,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3 2025-08-31T10:08:01,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3 2025-08-31T10:08:01,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS 2025-08-31T10:08:01,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS 2025-08-31T10:08:01,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3 2025-08-31T10:08:01,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3 2025-08-31T10:08:01,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS 2025-08-31T10:08:01,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS 2025-08-31T10:08:01,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3 2025-08-31T10:08:01,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3 2025-08-31T10:08:01,485 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene 2025-08-31T10:08:01,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene 2025-08-31T10:08:01,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS 2025-08-31T10:08:01,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS 2025-08-31T10:08:01,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS 2025-08-31T10:08:01,492 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS 2025-08-31T10:08:01,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O 2025-08-31T10:08:01,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O 2025-08-31T10:08:01,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS 2025-08-31T10:08:01,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS 2025-08-31T10:08:01,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS 2025-08-31T10:08:01,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS 2025-08-31T10:08:01,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+ 2025-08-31T10:08:01,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+ 2025-08-31T10:08:01,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt 2025-08-31T10:08:01,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt 2025-08-31T10:08:01,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G 2025-08-31T10:08:01,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G 2025-08-31T10:08:01,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT 2025-08-31T10:08:01,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT 2025-08-31T10:08:01,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g- 2025-08-31T10:08:01,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g- 2025-08-31T10:08:01,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX 2025-08-31T10:08:01,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX 2025-08-31T10:08:01,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg 2025-08-31T10:08:01,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg 2025-08-31T10:08:01,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG 2025-08-31T10:08:01,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG 2025-08-31T10:08:01,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+ 2025-08-31T10:08:01,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+ 2025-08-31T10:08:01,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt 2025-08-31T10:08:01,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt 2025-08-31T10:08:01,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt 2025-08-31T10:08:01,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt 2025-08-31T10:08:01,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T 2025-08-31T10:08:01,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T 2025-08-31T10:08:01,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG 2025-08-31T10:08:01,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG 2025-08-31T10:08:01,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g- 2025-08-31T10:08:01,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g- 2025-08-31T10:08:01,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg 2025-08-31T10:08:01,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg 2025-08-31T10:08:01,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x- 2025-08-31T10:08:01,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x- 2025-08-31T10:08:01,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg 2025-08-31T10:08:01,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg 2025-08-31T10:08:01,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g- 2025-08-31T10:08:01,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g- 2025-08-31T10:08:01,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23 2025-08-31T10:08:01,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23 2025-08-31T10:08:01,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4 2025-08-31T10:08:01,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4 2025-08-31T10:08:01,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8 2025-08-31T10:08:01,574 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8 2025-08-31T10:08:01,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30 2025-08-31T10:08:01,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30 2025-08-31T10:08:01,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3 2025-08-31T10:08:01,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3 2025-08-31T10:08:01,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29 2025-08-31T10:08:01,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29 2025-08-31T10:08:01,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42 2025-08-31T10:08:01,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42 2025-08-31T10:08:01,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10 2025-08-31T10:08:01,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10 2025-08-31T10:08:01,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34 2025-08-31T10:08:01,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34 2025-08-31T10:08:01,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22 2025-08-31T10:08:01,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22 2025-08-31T10:08:01,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18 2025-08-31T10:08:01,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18 2025-08-31T10:08:01,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16 2025-08-31T10:08:01,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16 2025-08-31T10:08:01,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7 2025-08-31T10:08:01,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7 2025-08-31T10:08:01,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52 2025-08-31T10:08:01,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52 2025-08-31T10:08:01,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37 2025-08-31T10:08:01,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37 2025-08-31T10:08:01,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40 2025-08-31T10:08:01,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40 2025-08-31T10:08:01,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28 2025-08-31T10:08:01,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28 2025-08-31T10:08:01,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36 2025-08-31T10:08:01,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36 2025-08-31T10:08:01,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47 2025-08-31T10:08:01,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47 2025-08-31T10:08:01,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21 2025-08-31T10:08:01,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21 2025-08-31T10:08:01,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13 2025-08-31T10:08:01,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13 2025-08-31T10:08:01,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25 2025-08-31T10:08:01,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25 2025-08-31T10:08:01,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32 2025-08-31T10:08:01,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32 2025-08-31T10:08:01,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6 2025-08-31T10:08:01,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6 2025-08-31T10:08:01,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41 2025-08-31T10:08:01,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41 2025-08-31T10:08:01,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14 2025-08-31T10:08:01,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14 2025-08-31T10:08:01,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1 2025-08-31T10:08:01,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1 2025-08-31T10:08:01,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15 2025-08-31T10:08:01,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15 2025-08-31T10:08:01,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38 2025-08-31T10:08:01,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38 2025-08-31T10:08:01,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24 2025-08-31T10:08:01,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24 2025-08-31T10:08:01,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19 2025-08-31T10:08:01,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19 2025-08-31T10:08:01,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31 2025-08-31T10:08:01,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31 2025-08-31T10:08:01,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45 2025-08-31T10:08:01,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45 2025-08-31T10:08:01,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50 2025-08-31T10:08:01,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50 2025-08-31T10:08:01,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26 2025-08-31T10:08:01,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26 2025-08-31T10:08:01,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46 2025-08-31T10:08:01,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46 2025-08-31T10:08:01,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2 2025-08-31T10:08:01,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2 2025-08-31T10:08:01,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20 2025-08-31T10:08:01,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20 2025-08-31T10:08:01,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5 2025-08-31T10:08:01,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5 2025-08-31T10:08:01,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43 2025-08-31T10:08:01,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43 2025-08-31T10:08:01,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44 2025-08-31T10:08:01,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44 2025-08-31T10:08:01,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33 2025-08-31T10:08:01,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33 2025-08-31T10:08:01,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12 2025-08-31T10:08:01,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12 2025-08-31T10:08:01,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17 2025-08-31T10:08:01,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17 2025-08-31T10:08:01,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35 2025-08-31T10:08:01,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35 2025-08-31T10:08:01,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51 2025-08-31T10:08:01,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51 2025-08-31T10:08:01,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9 2025-08-31T10:08:01,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9 2025-08-31T10:08:01,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39 2025-08-31T10:08:01,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39 2025-08-31T10:08:01,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49 2025-08-31T10:08:01,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49 2025-08-31T10:08:01,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48 2025-08-31T10:08:01,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48 2025-08-31T10:08:01,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11 2025-08-31T10:08:01,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11 2025-08-31T10:08:01,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27 2025-08-31T10:08:01,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27 2025-08-31T10:08:01,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O 2025-08-31T10:08:01,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O 2025-08-31T10:08:01,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL 2025-08-31T10:08:01,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL 2025-08-31T10:08:01,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A 2025-08-31T10:08:01,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A 2025-08-31T10:08:01,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B 2025-08-31T10:08:01,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B 2025-08-31T10:08:01,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B 2025-08-31T10:08:01,760 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B 2025-08-31T10:08:01,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A 2025-08-31T10:08:01,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A 2025-08-31T10:08:01,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A 2025-08-31T10:08:01,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A 2025-08-31T10:08:01,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B 2025-08-31T10:08:01,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B 2025-08-31T10:08:01,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL 2025-08-31T10:08:01,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL 2025-08-31T10:08:01,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A 2025-08-31T10:08:01,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A 2025-08-31T10:08:01,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N 2025-08-31T10:08:01,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N 2025-08-31T10:08:01,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL 2025-08-31T10:08:01,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL 2025-08-31T10:08:01,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL 2025-08-31T10:08:01,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL 2025-08-31T10:08:01,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A 2025-08-31T10:08:01,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A 2025-08-31T10:08:01,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A 2025-08-31T10:08:01,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A 2025-08-31T10:08:01,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B 2025-08-31T10:08:01,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B 2025-08-31T10:08:01,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B 2025-08-31T10:08:01,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B 2025-08-31T10:08:01,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A 2025-08-31T10:08:01,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A 2025-08-31T10:08:01,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A 2025-08-31T10:08:01,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A 2025-08-31T10:08:01,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B 2025-08-31T10:08:01,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B 2025-08-31T10:08:01,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N 2025-08-31T10:08:01,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N 2025-08-31T10:08:01,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A 2025-08-31T10:08:01,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A 2025-08-31T10:08:01,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B 2025-08-31T10:08:01,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B 2025-08-31T10:08:01,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A 2025-08-31T10:08:01,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A 2025-08-31T10:08:01,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B 2025-08-31T10:08:01,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B 2025-08-31T10:08:01,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A 2025-08-31T10:08:01,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A 2025-08-31T10:08:01,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N 2025-08-31T10:08:01,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N 2025-08-31T10:08:01,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B 2025-08-31T10:08:01,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B 2025-08-31T10:08:01,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A 2025-08-31T10:08:01,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A 2025-08-31T10:08:01,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B 2025-08-31T10:08:01,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B 2025-08-31T10:08:01,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N 2025-08-31T10:08:01,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N 2025-08-31T10:08:01,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O 2025-08-31T10:08:01,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O 2025-08-31T10:08:01,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O 2025-08-31T10:08:01,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O 2025-08-31T10:08:01,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B 2025-08-31T10:08:01,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B 2025-08-31T10:08:01,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O 2025-08-31T10:08:01,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O 2025-08-31T10:08:01,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B 2025-08-31T10:08:01,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B 2025-08-31T10:08:01,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A 2025-08-31T10:08:01,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A 2025-08-31T10:08:01,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A 2025-08-31T10:08:01,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A 2025-08-31T10:08:01,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A 2025-08-31T10:08:01,878 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A 2025-08-31T10:08:01,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4 2025-08-31T10:08:01,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4 2025-08-31T10:08:01,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B 2025-08-31T10:08:01,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B 2025-08-31T10:08:01,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8 2025-08-31T10:08:01,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8 2025-08-31T10:08:01,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A 2025-08-31T10:08:01,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A 2025-08-31T10:08:01,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B 2025-08-31T10:08:01,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B 2025-08-31T10:08:01,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3 2025-08-31T10:08:01,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3 2025-08-31T10:08:01,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B 2025-08-31T10:08:01,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B 2025-08-31T10:08:01,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A 2025-08-31T10:08:01,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A 2025-08-31T10:08:01,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10 2025-08-31T10:08:01,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10 2025-08-31T10:08:01,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A 2025-08-31T10:08:01,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A 2025-08-31T10:08:01,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18 2025-08-31T10:08:01,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18 2025-08-31T10:08:01,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16 2025-08-31T10:08:01,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16 2025-08-31T10:08:01,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7 2025-08-31T10:08:01,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7 2025-08-31T10:08:01,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B 2025-08-31T10:08:01,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B 2025-08-31T10:08:01,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A 2025-08-31T10:08:01,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A 2025-08-31T10:08:01,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B 2025-08-31T10:08:01,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B 2025-08-31T10:08:01,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21 2025-08-31T10:08:01,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21 2025-08-31T10:08:01,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B 2025-08-31T10:08:01,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B 2025-08-31T10:08:01,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13 2025-08-31T10:08:01,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13 2025-08-31T10:08:01,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B 2025-08-31T10:08:01,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B 2025-08-31T10:08:01,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B 2025-08-31T10:08:01,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B 2025-08-31T10:08:01,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6 2025-08-31T10:08:01,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6 2025-08-31T10:08:01,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A 2025-08-31T10:08:01,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A 2025-08-31T10:08:01,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B 2025-08-31T10:08:01,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B 2025-08-31T10:08:01,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14 2025-08-31T10:08:01,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14 2025-08-31T10:08:01,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1 2025-08-31T10:08:01,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1 2025-08-31T10:08:01,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A 2025-08-31T10:08:01,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A 2025-08-31T10:08:01,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15 2025-08-31T10:08:01,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15 2025-08-31T10:08:01,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B 2025-08-31T10:08:01,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B 2025-08-31T10:08:01,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A 2025-08-31T10:08:01,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A 2025-08-31T10:08:01,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19 2025-08-31T10:08:01,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19 2025-08-31T10:08:01,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A 2025-08-31T10:08:01,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A 2025-08-31T10:08:01,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B 2025-08-31T10:08:02,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B 2025-08-31T10:08:02,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B 2025-08-31T10:08:02,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B 2025-08-31T10:08:02,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B 2025-08-31T10:08:02,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B 2025-08-31T10:08:02,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2 2025-08-31T10:08:02,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2 2025-08-31T10:08:02,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20 2025-08-31T10:08:02,013 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20 2025-08-31T10:08:02,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B 2025-08-31T10:08:02,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B 2025-08-31T10:08:02,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5 2025-08-31T10:08:02,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5 2025-08-31T10:08:02,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A 2025-08-31T10:08:02,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A 2025-08-31T10:08:02,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A 2025-08-31T10:08:02,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A 2025-08-31T10:08:02,029 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B 2025-08-31T10:08:02,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B 2025-08-31T10:08:02,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A 2025-08-31T10:08:02,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A 2025-08-31T10:08:02,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B 2025-08-31T10:08:02,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B 2025-08-31T10:08:02,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A 2025-08-31T10:08:02,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A 2025-08-31T10:08:02,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B 2025-08-31T10:08:02,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B 2025-08-31T10:08:02,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A 2025-08-31T10:08:02,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A 2025-08-31T10:08:02,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A 2025-08-31T10:08:02,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A 2025-08-31T10:08:02,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12 2025-08-31T10:08:02,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12 2025-08-31T10:08:02,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17 2025-08-31T10:08:02,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17 2025-08-31T10:08:02,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A 2025-08-31T10:08:02,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A 2025-08-31T10:08:02,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B 2025-08-31T10:08:02,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B 2025-08-31T10:08:02,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9 2025-08-31T10:08:02,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9 2025-08-31T10:08:02,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A 2025-08-31T10:08:02,071 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A 2025-08-31T10:08:02,073 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B 2025-08-31T10:08:02,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B 2025-08-31T10:08:02,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A 2025-08-31T10:08:02,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A 2025-08-31T10:08:02,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B 2025-08-31T10:08:02,081 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B 2025-08-31T10:08:02,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A 2025-08-31T10:08:02,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A 2025-08-31T10:08:02,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B 2025-08-31T10:08:02,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B 2025-08-31T10:08:02,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11 2025-08-31T10:08:02,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11 2025-08-31T10:08:02,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl 2025-08-31T10:08:02,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl 2025-08-31T10:08:02,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal 2025-08-31T10:08:02,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal 2025-08-31T10:08:02,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn 2025-08-31T10:08:02,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn 2025-08-31T10:08:02,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh 2025-08-31T10:08:02,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh 2025-08-31T10:08:02,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2 2025-08-31T10:08:02,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2 2025-08-31T10:08:02,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4 2025-08-31T10:08:02,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4 2025-08-31T10:08:02,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh 2025-08-31T10:08:02,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh 2025-08-31T10:08:02,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2 2025-08-31T10:08:02,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2 2025-08-31T10:08:02,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2 2025-08-31T10:08:02,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2 2025-08-31T10:08:02,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs 2025-08-31T10:08:02,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs 2025-08-31T10:08:02,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4 2025-08-31T10:08:02,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4 2025-08-31T10:08:02,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh 2025-08-31T10:08:02,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh 2025-08-31T10:08:02,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc 2025-08-31T10:08:02,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc 2025-08-31T10:08:02,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p 2025-08-31T10:08:02,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p 2025-08-31T10:08:02,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o 2025-08-31T10:08:02,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o 2025-08-31T10:08:02,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn 2025-08-31T10:08:02,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn 2025-08-31T10:08:02,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2 2025-08-31T10:08:02,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2 2025-08-31T10:08:02,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh 2025-08-31T10:08:02,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh 2025-08-31T10:08:02,159 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2 2025-08-31T10:08:02,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2 2025-08-31T10:08:02,162 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh 2025-08-31T10:08:02,163 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh 2025-08-31T10:08:02,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf 2025-08-31T10:08:02,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf 2025-08-31T10:08:02,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c 2025-08-31T10:08:02,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c 2025-08-31T10:08:02,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no 2025-08-31T10:08:02,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no 2025-08-31T10:08:02,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o 2025-08-31T10:08:02,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o 2025-08-31T10:08:02,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al 2025-08-31T10:08:02,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al 2025-08-31T10:08:02,181 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs 2025-08-31T10:08:02,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs 2025-08-31T10:08:02,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3 2025-08-31T10:08:02,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3 2025-08-31T10:08:02,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn 2025-08-31T10:08:02,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn 2025-08-31T10:08:02,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c 2025-08-31T10:08:02,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c 2025-08-31T10:08:02,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc 2025-08-31T10:08:02,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc 2025-08-31T10:08:02,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be 2025-08-31T10:08:02,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be 2025-08-31T10:08:02,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o 2025-08-31T10:08:02,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o 2025-08-31T10:08:02,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf 2025-08-31T10:08:02,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf 2025-08-31T10:08:02,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6 2025-08-31T10:08:02,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6 2025-08-31T10:08:02,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n 2025-08-31T10:08:02,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n 2025-08-31T10:08:02,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono 2025-08-31T10:08:02,215 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono 2025-08-31T10:08:02,217 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif 2025-08-31T10:08:02,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif 2025-08-31T10:08:02,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4 2025-08-31T10:08:02,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4 2025-08-31T10:08:02,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch 2025-08-31T10:08:02,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch 2025-08-31T10:08:02,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde 2025-08-31T10:08:02,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde 2025-08-31T10:08:02,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o 2025-08-31T10:08:02,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o 2025-08-31T10:08:02,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene 2025-08-31T10:08:02,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene 2025-08-31T10:08:02,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2 2025-08-31T10:08:02,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2 2025-08-31T10:08:02,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2 2025-08-31T10:08:02,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2 2025-08-31T10:08:02,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3 2025-08-31T10:08:02,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3 2025-08-31T10:08:02,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s 2025-08-31T10:08:02,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s 2025-08-31T10:08:02,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco 2025-08-31T10:08:02,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco 2025-08-31T10:08:02,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane 2025-08-31T10:08:02,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane 2025-08-31T10:08:02,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2 2025-08-31T10:08:02,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2 2025-08-31T10:08:02,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf 2025-08-31T10:08:02,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf 2025-08-31T10:08:02,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo 2025-08-31T10:08:02,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo 2025-08-31T10:08:02,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4 2025-08-31T10:08:02,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4 2025-08-31T10:08:02,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2 2025-08-31T10:08:02,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2 2025-08-31T10:08:02,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf 2025-08-31T10:08:02,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf 2025-08-31T10:08:02,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2 2025-08-31T10:08:02,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2 2025-08-31T10:08:02,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof 2025-08-31T10:08:02,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof 2025-08-31T10:08:02,284 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4 2025-08-31T10:08:02,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4 2025-08-31T10:08:02,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f 2025-08-31T10:08:02,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f 2025-08-31T10:08:02,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3 2025-08-31T10:08:02,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3 2025-08-31T10:08:02,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f 2025-08-31T10:08:02,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f 2025-08-31T10:08:02,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic 2025-08-31T10:08:02,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic 2025-08-31T10:08:02,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo 2025-08-31T10:08:02,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo 2025-08-31T10:08:02,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene 2025-08-31T10:08:02,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene 2025-08-31T10:08:02,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh 2025-08-31T10:08:02,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh 2025-08-31T10:08:02,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2 2025-08-31T10:08:02,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2 2025-08-31T10:08:02,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2 2025-08-31T10:08:02,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2 2025-08-31T10:08:02,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol 2025-08-31T10:08:02,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol 2025-08-31T10:08:02,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn 2025-08-31T10:08:02,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn 2025-08-31T10:08:02,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2 2025-08-31T10:08:02,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2 2025-08-31T10:08:02,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof 2025-08-31T10:08:02,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof 2025-08-31T10:08:02,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2 2025-08-31T10:08:02,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2 2025-08-31T10:08:02,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o 2025-08-31T10:08:02,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o 2025-08-31T10:08:02,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f 2025-08-31T10:08:02,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f 2025-08-31T10:08:02,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4 2025-08-31T10:08:02,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4 2025-08-31T10:08:02,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3 2025-08-31T10:08:02,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3 2025-08-31T10:08:02,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2 2025-08-31T10:08:02,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2 2025-08-31T10:08:02,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3 2025-08-31T10:08:02,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3 2025-08-31T10:08:02,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4 2025-08-31T10:08:02,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4 2025-08-31T10:08:02,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi 2025-08-31T10:08:02,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi 2025-08-31T10:08:02,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn 2025-08-31T10:08:02,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn 2025-08-31T10:08:02,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3 2025-08-31T10:08:02,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3 2025-08-31T10:08:02,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn 2025-08-31T10:08:02,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn 2025-08-31T10:08:02,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing 2025-08-31T10:08:02,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing 2025-08-31T10:08:02,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2 2025-08-31T10:08:02,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2 2025-08-31T10:08:02,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3 2025-08-31T10:08:02,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3 2025-08-31T10:08:02,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6 2025-08-31T10:08:02,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6 2025-08-31T10:08:02,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane 2025-08-31T10:08:02,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane 2025-08-31T10:08:02,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2 2025-08-31T10:08:02,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2 2025-08-31T10:08:02,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo 2025-08-31T10:08:02,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo 2025-08-31T10:08:02,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip 2025-08-31T10:08:02,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip 2025-08-31T10:08:02,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn 2025-08-31T10:08:02,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn 2025-08-31T10:08:02,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2 2025-08-31T10:08:02,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2 2025-08-31T10:08:02,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so 2025-08-31T10:08:02,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so 2025-08-31T10:08:02,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co 2025-08-31T10:08:02,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co 2025-08-31T10:08:02,412 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2 2025-08-31T10:08:02,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2 2025-08-31T10:08:02,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2 2025-08-31T10:08:02,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2 2025-08-31T10:08:02,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s 2025-08-31T10:08:02,420 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s 2025-08-31T10:08:02,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno 2025-08-31T10:08:02,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno 2025-08-31T10:08:02,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch 2025-08-31T10:08:02,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch 2025-08-31T10:08:02,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol 2025-08-31T10:08:02,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol 2025-08-31T10:08:02,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of 2025-08-31T10:08:02,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of 2025-08-31T10:08:02,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2 2025-08-31T10:08:02,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2 2025-08-31T10:08:02,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl 2025-08-31T10:08:02,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl 2025-08-31T10:08:02,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b 2025-08-31T10:08:02,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b 2025-08-31T10:08:02,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene 2025-08-31T10:08:02,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene 2025-08-31T10:08:02,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh 2025-08-31T10:08:02,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh 2025-08-31T10:08:02,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo 2025-08-31T10:08:02,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo 2025-08-31T10:08:02,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl 2025-08-31T10:08:02,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl 2025-08-31T10:08:02,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno 2025-08-31T10:08:02,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno 2025-08-31T10:08:02,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h 2025-08-31T10:08:02,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h 2025-08-31T10:08:02,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco 2025-08-31T10:08:02,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco 2025-08-31T10:08:02,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch 2025-08-31T10:08:02,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch 2025-08-31T10:08:02,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic 2025-08-31T10:08:02,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic 2025-08-31T10:08:02,474 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf 2025-08-31T10:08:02,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf 2025-08-31T10:08:02,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2 2025-08-31T10:08:02,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2 2025-08-31T10:08:02,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh 2025-08-31T10:08:02,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh 2025-08-31T10:08:02,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof 2025-08-31T10:08:02,485 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof 2025-08-31T10:08:02,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f 2025-08-31T10:08:02,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f 2025-08-31T10:08:02,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf 2025-08-31T10:08:02,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf 2025-08-31T10:08:02,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o 2025-08-31T10:08:02,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o 2025-08-31T10:08:02,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si 2025-08-31T10:08:02,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si 2025-08-31T10:08:02,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co 2025-08-31T10:08:02,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co 2025-08-31T10:08:02,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs 2025-08-31T10:08:02,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs 2025-08-31T10:08:02,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf 2025-08-31T10:08:02,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf 2025-08-31T10:08:02,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2 2025-08-31T10:08:02,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2 2025-08-31T10:08:02,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio 2025-08-31T10:08:02,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio 2025-08-31T10:08:02,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3 2025-08-31T10:08:02,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3 2025-08-31T10:08:02,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2 2025-08-31T10:08:02,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2 2025-08-31T10:08:02,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl 2025-08-31T10:08:02,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl 2025-08-31T10:08:02,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h 2025-08-31T10:08:02,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h 2025-08-31T10:08:02,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6 2025-08-31T10:08:02,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6 2025-08-31T10:08:02,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn 2025-08-31T10:08:02,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn 2025-08-31T10:08:02,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih 2025-08-31T10:08:02,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih 2025-08-31T10:08:02,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3 2025-08-31T10:08:02,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3 2025-08-31T10:08:02,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh 2025-08-31T10:08:02,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh 2025-08-31T10:08:02,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene 2025-08-31T10:08:02,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene 2025-08-31T10:08:02,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3 2025-08-31T10:08:02,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3 2025-08-31T10:08:02,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co 2025-08-31T10:08:02,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co 2025-08-31T10:08:02,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f 2025-08-31T10:08:02,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f 2025-08-31T10:08:02,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane 2025-08-31T10:08:02,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane 2025-08-31T10:08:02,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo 2025-08-31T10:08:02,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo 2025-08-31T10:08:02,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3 2025-08-31T10:08:02,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3 2025-08-31T10:08:02,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh 2025-08-31T10:08:02,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh 2025-08-31T10:08:02,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne 2025-08-31T10:08:02,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne 2025-08-31T10:08:02,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo 2025-08-31T10:08:02,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo 2025-08-31T10:08:02,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2 2025-08-31T10:08:02,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2 2025-08-31T10:08:02,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2 2025-08-31T10:08:02,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2 2025-08-31T10:08:02,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v 2025-08-31T10:08:02,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v 2025-08-31T10:08:02,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh 2025-08-31T10:08:02,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh 2025-08-31T10:08:02,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl 2025-08-31T10:08:02,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl 2025-08-31T10:08:02,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono 2025-08-31T10:08:02,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono 2025-08-31T10:08:02,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2 2025-08-31T10:08:02,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2 2025-08-31T10:08:02,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B 2025-08-31T10:08:02,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B 2025-08-31T10:08:02,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227 2025-08-31T10:08:02,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227 2025-08-31T10:08:02,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147 2025-08-31T10:08:02,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147 2025-08-31T10:08:02,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B 2025-08-31T10:08:02,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B 2025-08-31T10:08:02,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A 2025-08-31T10:08:02,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A 2025-08-31T10:08:02,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150 2025-08-31T10:08:02,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150 2025-08-31T10:08:02,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B 2025-08-31T10:08:02,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B 2025-08-31T10:08:02,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A 2025-08-31T10:08:02,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A 2025-08-31T10:08:02,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B 2025-08-31T10:08:02,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B 2025-08-31T10:08:02,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A 2025-08-31T10:08:02,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A 2025-08-31T10:08:02,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A 2025-08-31T10:08:02,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A 2025-08-31T10:08:02,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B 2025-08-31T10:08:02,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B 2025-08-31T10:08:02,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A 2025-08-31T10:08:02,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A 2025-08-31T10:08:02,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B 2025-08-31T10:08:02,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B 2025-08-31T10:08:02,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187 2025-08-31T10:08:02,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187 2025-08-31T10:08:02,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229 2025-08-31T10:08:02,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229 2025-08-31T10:08:02,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A 2025-08-31T10:08:02,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A 2025-08-31T10:08:02,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B 2025-08-31T10:08:02,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B 2025-08-31T10:08:02,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152 2025-08-31T10:08:02,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152 2025-08-31T10:08:02,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148 2025-08-31T10:08:02,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148 2025-08-31T10:08:02,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A 2025-08-31T10:08:02,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A 2025-08-31T10:08:02,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B 2025-08-31T10:08:02,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B 2025-08-31T10:08:02,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212 2025-08-31T10:08:02,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212 2025-08-31T10:08:02,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B 2025-08-31T10:08:02,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B 2025-08-31T10:08:02,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B 2025-08-31T10:08:02,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B 2025-08-31T10:08:02,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A 2025-08-31T10:08:02,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A 2025-08-31T10:08:02,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228 2025-08-31T10:08:02,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228 2025-08-31T10:08:02,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144 2025-08-31T10:08:02,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144 2025-08-31T10:08:02,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A 2025-08-31T10:08:02,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A 2025-08-31T10:08:02,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B 2025-08-31T10:08:02,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B 2025-08-31T10:08:02,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A 2025-08-31T10:08:02,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A 2025-08-31T10:08:02,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231 2025-08-31T10:08:02,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231 2025-08-31T10:08:02,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A 2025-08-31T10:08:02,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A 2025-08-31T10:08:02,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A 2025-08-31T10:08:02,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A 2025-08-31T10:08:02,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008 2025-08-31T10:08:02,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008 2025-08-31T10:08:02,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B 2025-08-31T10:08:02,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B 2025-08-31T10:08:02,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B 2025-08-31T10:08:02,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B 2025-08-31T10:08:02,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A 2025-08-31T10:08:02,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A 2025-08-31T10:08:02,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230 2025-08-31T10:08:02,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230 2025-08-31T10:08:02,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A 2025-08-31T10:08:02,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A 2025-08-31T10:08:02,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A 2025-08-31T10:08:02,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A 2025-08-31T10:08:02,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A 2025-08-31T10:08:02,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A 2025-08-31T10:08:02,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B 2025-08-31T10:08:02,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B 2025-08-31T10:08:02,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B 2025-08-31T10:08:02,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B 2025-08-31T10:08:02,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202 2025-08-31T10:08:02,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202 2025-08-31T10:08:02,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213 2025-08-31T10:08:02,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213 2025-08-31T10:08:02,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214 2025-08-31T10:08:02,763 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214 2025-08-31T10:08:02,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B 2025-08-31T10:08:02,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B 2025-08-31T10:08:02,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3 2025-08-31T10:08:02,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3 2025-08-31T10:08:02,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22 2025-08-31T10:08:02,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22 2025-08-31T10:08:02,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3 2025-08-31T10:08:02,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3 2025-08-31T10:08:02,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22 2025-08-31T10:08:02,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22 2025-08-31T10:08:02,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3 2025-08-31T10:08:02,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3 2025-08-31T10:08:02,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2 2025-08-31T10:08:02,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2 2025-08-31T10:08:02,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2 2025-08-31T10:08:02,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2 2025-08-31T10:08:02,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2 2025-08-31T10:08:02,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2 2025-08-31T10:08:02,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2 2025-08-31T10:08:02,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2 2025-08-31T10:08:02,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22 2025-08-31T10:08:02,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22 2025-08-31T10:08:02,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2 2025-08-31T10:08:02,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2 2025-08-31T10:08:02,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s 2025-08-31T10:08:02,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s 2025-08-31T10:08:02,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22 2025-08-31T10:08:02,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22 2025-08-31T10:08:02,827 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s 2025-08-31T10:08:02,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s 2025-08-31T10:08:02,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2 2025-08-31T10:08:02,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2 2025-08-31T10:08:02,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22 2025-08-31T10:08:02,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22 2025-08-31T10:08:02,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22 2025-08-31T10:08:02,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22 2025-08-31T10:08:02,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3 2025-08-31T10:08:02,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3 2025-08-31T10:08:02,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22 2025-08-31T10:08:02,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22 2025-08-31T10:08:02,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2 2025-08-31T10:08:02,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2 2025-08-31T10:08:02,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2 2025-08-31T10:08:02,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2 2025-08-31T10:08:02,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s 2025-08-31T10:08:02,862 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s 2025-08-31T10:08:02,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3 2025-08-31T10:08:02,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3 2025-08-31T10:08:02,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22 2025-08-31T10:08:02,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22 2025-08-31T10:08:02,874 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22 2025-08-31T10:08:02,875 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22 2025-08-31T10:08:02,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2 2025-08-31T10:08:02,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2 2025-08-31T10:08:02,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3 2025-08-31T10:08:02,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3 2025-08-31T10:08:02,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2 2025-08-31T10:08:02,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2 2025-08-31T10:08:02,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22 2025-08-31T10:08:02,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22 2025-08-31T10:08:02,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3 2025-08-31T10:08:02,896 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3 2025-08-31T10:08:02,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2 2025-08-31T10:08:02,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2 2025-08-31T10:08:02,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh 2025-08-31T10:08:02,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh 2025-08-31T10:08:02,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2 2025-08-31T10:08:02,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2 2025-08-31T10:08:02,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6 2025-08-31T10:08:02,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6 2025-08-31T10:08:02,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2 2025-08-31T10:08:02,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2 2025-08-31T10:08:02,914 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4 2025-08-31T10:08:02,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4 2025-08-31T10:08:02,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme 2025-08-31T10:08:02,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme 2025-08-31T10:08:02,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2 2025-08-31T10:08:02,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2 2025-08-31T10:08:02,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2 2025-08-31T10:08:02,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2 2025-08-31T10:08:02,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6 2025-08-31T10:08:02,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6 2025-08-31T10:08:02,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3 2025-08-31T10:08:02,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3 2025-08-31T10:08:02,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br 2025-08-31T10:08:02,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br 2025-08-31T10:08:02,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4 2025-08-31T10:08:02,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4 2025-08-31T10:08:02,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl 2025-08-31T10:08:02,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl 2025-08-31T10:08:02,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4 2025-08-31T10:08:02,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4 2025-08-31T10:08:02,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3 2025-08-31T10:08:02,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3 2025-08-31T10:08:02,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6 2025-08-31T10:08:02,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6 2025-08-31T10:08:02,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2 2025-08-31T10:08:02,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2 2025-08-31T10:08:02,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2 2025-08-31T10:08:02,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2 2025-08-31T10:08:02,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2 2025-08-31T10:08:02,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2 2025-08-31T10:08:02,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh 2025-08-31T10:08:02,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh 2025-08-31T10:08:02,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1 2025-08-31T10:08:02,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1 2025-08-31T10:08:02,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14 2025-08-31T10:08:02,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14 2025-08-31T10:08:02,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4 2025-08-31T10:08:02,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4 2025-08-31T10:08:02,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16 2025-08-31T10:08:02,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16 2025-08-31T10:08:02,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11 2025-08-31T10:08:02,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11 2025-08-31T10:08:02,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1 2025-08-31T10:08:02,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1 2025-08-31T10:08:02,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7 2025-08-31T10:08:02,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7 2025-08-31T10:08:02,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9 2025-08-31T10:08:02,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9 2025-08-31T10:08:02,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15 2025-08-31T10:08:02,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15 2025-08-31T10:08:03,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9 2025-08-31T10:08:03,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9 2025-08-31T10:08:03,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3 2025-08-31T10:08:03,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3 2025-08-31T10:08:03,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15 2025-08-31T10:08:03,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15 2025-08-31T10:08:03,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13 2025-08-31T10:08:03,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13 2025-08-31T10:08:03,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4 2025-08-31T10:08:03,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4 2025-08-31T10:08:03,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12 2025-08-31T10:08:03,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12 2025-08-31T10:08:03,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8 2025-08-31T10:08:03,024 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8 2025-08-31T10:08:03,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6 2025-08-31T10:08:03,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6 2025-08-31T10:08:03,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2 2025-08-31T10:08:03,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2 2025-08-31T10:08:03,033 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4 2025-08-31T10:08:03,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4 2025-08-31T10:08:03,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1 2025-08-31T10:08:03,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1 2025-08-31T10:08:03,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14 2025-08-31T10:08:03,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14 2025-08-31T10:08:03,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10 2025-08-31T10:08:03,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10 2025-08-31T10:08:03,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3 2025-08-31T10:08:03,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3 2025-08-31T10:08:03,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3 2025-08-31T10:08:03,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3 2025-08-31T10:08:03,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13 2025-08-31T10:08:03,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13 2025-08-31T10:08:03,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4 2025-08-31T10:08:03,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4 2025-08-31T10:08:03,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7 2025-08-31T10:08:03,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7 2025-08-31T10:08:03,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5 2025-08-31T10:08:03,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5 2025-08-31T10:08:03,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5 2025-08-31T10:08:03,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5 2025-08-31T10:08:03,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11 2025-08-31T10:08:03,071 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11 2025-08-31T10:08:03,073 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8 2025-08-31T10:08:03,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8 2025-08-31T10:08:03,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6 2025-08-31T10:08:03,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6 2025-08-31T10:08:03,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10 2025-08-31T10:08:03,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10 2025-08-31T10:08:03,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2 2025-08-31T10:08:03,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2 2025-08-31T10:08:03,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5 2025-08-31T10:08:03,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5 2025-08-31T10:08:03,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12 2025-08-31T10:08:03,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12 2025-08-31T10:08:03,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6 2025-08-31T10:08:03,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6 2025-08-31T10:08:03,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2 2025-08-31T10:08:03,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2 2025-08-31T10:08:03,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8 2025-08-31T10:08:03,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8 2025-08-31T10:08:03,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h 2025-08-31T10:08:03,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h 2025-08-31T10:08:03,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4 2025-08-31T10:08:03,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4 2025-08-31T10:08:03,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+ 2025-08-31T10:08:03,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+ 2025-08-31T10:08:03,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4 2025-08-31T10:08:03,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4 2025-08-31T10:08:03,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2 2025-08-31T10:08:03,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2 2025-08-31T10:08:03,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me 2025-08-31T10:08:03,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me 2025-08-31T10:08:03,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2 2025-08-31T10:08:03,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2 2025-08-31T10:08:03,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+ 2025-08-31T10:08:03,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+ 2025-08-31T10:08:03,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2 2025-08-31T10:08:03,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2 2025-08-31T10:08:03,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c 2025-08-31T10:08:03,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c 2025-08-31T10:08:03,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2 2025-08-31T10:08:03,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2 2025-08-31T10:08:03,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch 2025-08-31T10:08:03,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch 2025-08-31T10:08:03,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n 2025-08-31T10:08:03,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n 2025-08-31T10:08:03,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2 2025-08-31T10:08:03,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2 2025-08-31T10:08:03,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me 2025-08-31T10:08:03,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me 2025-08-31T10:08:03,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8 2025-08-31T10:08:03,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8 2025-08-31T10:08:03,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o 2025-08-31T10:08:03,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o 2025-08-31T10:08:03,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4 2025-08-31T10:08:03,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4 2025-08-31T10:08:03,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1 2025-08-31T10:08:03,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1 2025-08-31T10:08:03,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o 2025-08-31T10:08:03,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o 2025-08-31T10:08:03,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4 2025-08-31T10:08:03,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4 2025-08-31T10:08:03,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o 2025-08-31T10:08:03,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o 2025-08-31T10:08:03,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3 2025-08-31T10:08:03,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3 2025-08-31T10:08:03,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o 2025-08-31T10:08:03,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o 2025-08-31T10:08:03,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o 2025-08-31T10:08:03,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o 2025-08-31T10:08:03,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8 2025-08-31T10:08:03,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8 2025-08-31T10:08:03,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1 2025-08-31T10:08:03,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1 2025-08-31T10:08:03,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9 2025-08-31T10:08:03,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9 2025-08-31T10:08:03,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o 2025-08-31T10:08:03,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o 2025-08-31T10:08:03,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5 2025-08-31T10:08:03,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5 2025-08-31T10:08:03,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2 2025-08-31T10:08:03,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2 2025-08-31T10:08:03,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7 2025-08-31T10:08:03,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7 2025-08-31T10:08:03,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6 2025-08-31T10:08:03,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6 2025-08-31T10:08:03,217 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o 2025-08-31T10:08:03,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o 2025-08-31T10:08:03,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o 2025-08-31T10:08:03,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o 2025-08-31T10:08:03,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3 2025-08-31T10:08:03,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3 2025-08-31T10:08:03,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o 2025-08-31T10:08:03,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o 2025-08-31T10:08:03,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6 2025-08-31T10:08:03,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6 2025-08-31T10:08:03,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o 2025-08-31T10:08:03,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o 2025-08-31T10:08:03,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2 2025-08-31T10:08:03,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2 2025-08-31T10:08:03,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8 2025-08-31T10:08:03,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8 2025-08-31T10:08:03,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9 2025-08-31T10:08:03,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9 2025-08-31T10:08:03,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5 2025-08-31T10:08:03,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5 2025-08-31T10:08:03,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7 2025-08-31T10:08:03,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7 2025-08-31T10:08:03,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02 2025-08-31T10:08:03,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02 2025-08-31T10:08:03,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23 2025-08-31T10:08:03,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23 2025-08-31T10:08:03,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08 2025-08-31T10:08:03,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08 2025-08-31T10:08:03,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2 2025-08-31T10:08:03,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2 2025-08-31T10:08:03,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30 2025-08-31T10:08:03,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30 2025-08-31T10:08:03,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2 2025-08-31T10:08:03,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2 2025-08-31T10:08:03,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29 2025-08-31T10:08:03,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29 2025-08-31T10:08:03,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06 2025-08-31T10:08:03,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06 2025-08-31T10:08:03,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3 2025-08-31T10:08:03,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3 2025-08-31T10:08:03,284 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2 2025-08-31T10:08:03,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2 2025-08-31T10:08:03,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42 2025-08-31T10:08:03,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42 2025-08-31T10:08:03,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10 2025-08-31T10:08:03,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10 2025-08-31T10:08:03,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34 2025-08-31T10:08:03,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34 2025-08-31T10:08:03,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2 2025-08-31T10:08:03,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2 2025-08-31T10:08:03,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22 2025-08-31T10:08:03,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22 2025-08-31T10:08:03,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18 2025-08-31T10:08:03,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18 2025-08-31T10:08:03,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16 2025-08-31T10:08:03,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16 2025-08-31T10:08:03,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04 2025-08-31T10:08:03,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04 2025-08-31T10:08:03,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37 2025-08-31T10:08:03,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37 2025-08-31T10:08:03,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40 2025-08-31T10:08:03,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40 2025-08-31T10:08:03,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09 2025-08-31T10:08:03,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09 2025-08-31T10:08:03,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28 2025-08-31T10:08:03,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28 2025-08-31T10:08:03,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36 2025-08-31T10:08:03,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36 2025-08-31T10:08:03,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21 2025-08-31T10:08:03,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21 2025-08-31T10:08:03,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13 2025-08-31T10:08:03,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13 2025-08-31T10:08:03,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4 2025-08-31T10:08:03,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4 2025-08-31T10:08:03,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25 2025-08-31T10:08:03,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25 2025-08-31T10:08:03,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32 2025-08-31T10:08:03,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32 2025-08-31T10:08:03,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41 2025-08-31T10:08:03,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41 2025-08-31T10:08:03,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14 2025-08-31T10:08:03,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14 2025-08-31T10:08:03,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15 2025-08-31T10:08:03,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15 2025-08-31T10:08:03,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2 2025-08-31T10:08:03,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2 2025-08-31T10:08:03,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38 2025-08-31T10:08:03,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38 2025-08-31T10:08:03,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24 2025-08-31T10:08:03,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24 2025-08-31T10:08:03,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19 2025-08-31T10:08:03,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19 2025-08-31T10:08:03,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01 2025-08-31T10:08:03,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01 2025-08-31T10:08:03,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2 2025-08-31T10:08:03,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2 2025-08-31T10:08:03,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31 2025-08-31T10:08:03,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31 2025-08-31T10:08:03,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4 2025-08-31T10:08:03,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4 2025-08-31T10:08:03,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26 2025-08-31T10:08:03,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26 2025-08-31T10:08:03,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03 2025-08-31T10:08:03,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03 2025-08-31T10:08:03,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20 2025-08-31T10:08:03,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20 2025-08-31T10:08:03,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43 2025-08-31T10:08:03,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43 2025-08-31T10:08:03,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH 2025-08-31T10:08:03,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH 2025-08-31T10:08:03,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33 2025-08-31T10:08:03,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33 2025-08-31T10:08:03,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12 2025-08-31T10:08:03,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12 2025-08-31T10:08:03,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17 2025-08-31T10:08:03,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17 2025-08-31T10:08:03,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH 2025-08-31T10:08:03,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH 2025-08-31T10:08:03,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35 2025-08-31T10:08:03,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35 2025-08-31T10:08:03,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2 2025-08-31T10:08:03,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2 2025-08-31T10:08:03,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39 2025-08-31T10:08:03,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39 2025-08-31T10:08:03,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2 2025-08-31T10:08:03,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2 2025-08-31T10:08:03,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05 2025-08-31T10:08:03,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05 2025-08-31T10:08:03,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3 2025-08-31T10:08:03,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3 2025-08-31T10:08:03,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2 2025-08-31T10:08:03,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2 2025-08-31T10:08:03,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07 2025-08-31T10:08:03,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07 2025-08-31T10:08:03,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11 2025-08-31T10:08:03,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11 2025-08-31T10:08:03,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27 2025-08-31T10:08:03,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27 2025-08-31T10:08:03,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3 2025-08-31T10:08:03,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3 2025-08-31T10:08:03,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar 2025-08-31T10:08:03,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar 2025-08-31T10:08:03,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2 2025-08-31T10:08:03,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2 2025-08-31T10:08:03,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr 2025-08-31T10:08:03,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr 2025-08-31T10:08:03,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr 2025-08-31T10:08:03,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr 2025-08-31T10:08:03,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2 2025-08-31T10:08:03,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2 2025-08-31T10:08:03,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar 2025-08-31T10:08:03,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar 2025-08-31T10:08:03,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2 2025-08-31T10:08:03,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2 2025-08-31T10:08:03,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf 2025-08-31T10:08:03,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf 2025-08-31T10:08:03,485 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne 2025-08-31T10:08:03,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne 2025-08-31T10:08:03,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3 2025-08-31T10:08:03,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3 2025-08-31T10:08:03,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr 2025-08-31T10:08:03,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr 2025-08-31T10:08:03,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne 2025-08-31T10:08:03,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne 2025-08-31T10:08:03,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4 2025-08-31T10:08:03,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4 2025-08-31T10:08:03,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz 2025-08-31T10:08:03,504 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz 2025-08-31T10:08:03,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4 2025-08-31T10:08:03,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4 2025-08-31T10:08:03,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe 2025-08-31T10:08:03,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe 2025-08-31T10:08:03,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2 2025-08-31T10:08:03,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2 2025-08-31T10:08:03,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6 2025-08-31T10:08:03,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6 2025-08-31T10:08:03,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe 2025-08-31T10:08:03,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe 2025-08-31T10:08:03,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3 2025-08-31T10:08:03,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3 2025-08-31T10:08:03,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr 2025-08-31T10:08:03,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr 2025-08-31T10:08:03,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6 2025-08-31T10:08:03,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6 2025-08-31T10:08:03,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne 2025-08-31T10:08:03,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne 2025-08-31T10:08:03,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar 2025-08-31T10:08:03,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar 2025-08-31T10:08:03,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr 2025-08-31T10:08:03,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr 2025-08-31T10:08:03,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4 2025-08-31T10:08:03,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4 2025-08-31T10:08:03,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3 2025-08-31T10:08:03,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3 2025-08-31T10:08:03,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o 2025-08-31T10:08:03,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o 2025-08-31T10:08:03,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3 2025-08-31T10:08:03,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3 2025-08-31T10:08:03,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2 2025-08-31T10:08:03,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2 2025-08-31T10:08:03,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl 2025-08-31T10:08:03,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl 2025-08-31T10:08:03,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o 2025-08-31T10:08:03,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o 2025-08-31T10:08:03,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi 2025-08-31T10:08:03,568 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi 2025-08-31T10:08:03,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3 2025-08-31T10:08:03,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3 2025-08-31T10:08:03,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3 2025-08-31T10:08:03,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3 2025-08-31T10:08:03,577 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi 2025-08-31T10:08:03,578 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi 2025-08-31T10:08:03,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o 2025-08-31T10:08:03,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o 2025-08-31T10:08:03,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr 2025-08-31T10:08:03,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr 2025-08-31T10:08:03,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2 2025-08-31T10:08:03,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2 2025-08-31T10:08:03,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi 2025-08-31T10:08:03,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi 2025-08-31T10:08:03,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s 2025-08-31T10:08:03,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s 2025-08-31T10:08:03,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s 2025-08-31T10:08:03,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s 2025-08-31T10:08:03,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr 2025-08-31T10:08:03,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr 2025-08-31T10:08:03,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr 2025-08-31T10:08:03,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr 2025-08-31T10:08:03,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2 2025-08-31T10:08:03,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2 2025-08-31T10:08:03,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi 2025-08-31T10:08:03,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi 2025-08-31T10:08:03,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl 2025-08-31T10:08:03,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl 2025-08-31T10:08:03,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s 2025-08-31T10:08:03,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s 2025-08-31T10:08:03,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3 2025-08-31T10:08:03,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3 2025-08-31T10:08:03,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2 2025-08-31T10:08:03,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2 2025-08-31T10:08:03,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2 2025-08-31T10:08:03,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2 2025-08-31T10:08:03,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3 2025-08-31T10:08:03,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3 2025-08-31T10:08:03,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl 2025-08-31T10:08:03,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl 2025-08-31T10:08:03,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi 2025-08-31T10:08:03,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi 2025-08-31T10:08:03,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr 2025-08-31T10:08:03,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr 2025-08-31T10:08:03,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o 2025-08-31T10:08:03,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o 2025-08-31T10:08:03,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o 2025-08-31T10:08:03,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o 2025-08-31T10:08:03,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s 2025-08-31T10:08:03,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s 2025-08-31T10:08:03,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl 2025-08-31T10:08:03,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl 2025-08-31T10:08:03,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl 2025-08-31T10:08:03,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl 2025-08-31T10:08:03,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3 2025-08-31T10:08:03,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3 2025-08-31T10:08:03,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2 2025-08-31T10:08:03,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2 2025-08-31T10:08:03,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3 2025-08-31T10:08:03,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3 2025-08-31T10:08:03,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2 2025-08-31T10:08:03,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2 2025-08-31T10:08:03,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2 2025-08-31T10:08:03,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2 2025-08-31T10:08:03,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1 2025-08-31T10:08:03,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1 2025-08-31T10:08:03,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1 2025-08-31T10:08:03,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1 2025-08-31T10:08:03,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1 2025-08-31T10:08:03,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1 2025-08-31T10:08:03,690 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3 2025-08-31T10:08:03,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3 2025-08-31T10:08:03,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1 2025-08-31T10:08:03,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1 2025-08-31T10:08:03,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2 2025-08-31T10:08:03,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2 2025-08-31T10:08:03,700 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3 2025-08-31T10:08:03,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3 2025-08-31T10:08:03,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2 2025-08-31T10:08:03,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2 2025-08-31T10:08:03,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2 2025-08-31T10:08:03,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2 2025-08-31T10:08:03,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2 2025-08-31T10:08:03,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2 2025-08-31T10:08:03,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4 2025-08-31T10:08:03,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4 2025-08-31T10:08:03,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1 2025-08-31T10:08:03,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1 2025-08-31T10:08:03,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2 2025-08-31T10:08:03,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2 2025-08-31T10:08:03,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2 2025-08-31T10:08:03,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2 2025-08-31T10:08:03,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3 2025-08-31T10:08:03,728 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3 2025-08-31T10:08:03,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1 2025-08-31T10:08:03,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1 2025-08-31T10:08:03,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4 2025-08-31T10:08:03,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4 2025-08-31T10:08:03,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1 2025-08-31T10:08:03,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1 2025-08-31T10:08:03,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1 2025-08-31T10:08:03,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1 2025-08-31T10:08:03,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3 2025-08-31T10:08:03,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3 2025-08-31T10:08:03,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2 2025-08-31T10:08:03,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2 2025-08-31T10:08:03,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2 2025-08-31T10:08:03,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2 2025-08-31T10:08:03,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1 2025-08-31T10:08:03,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1 2025-08-31T10:08:03,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1 2025-08-31T10:08:03,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1 2025-08-31T10:08:03,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p 2025-08-31T10:08:03,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p 2025-08-31T10:08:03,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e 2025-08-31T10:08:03,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e 2025-08-31T10:08:03,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e 2025-08-31T10:08:03,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e 2025-08-31T10:08:03,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p 2025-08-31T10:08:03,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p 2025-08-31T10:08:03,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e 2025-08-31T10:08:03,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e 2025-08-31T10:08:03,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p 2025-08-31T10:08:03,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p 2025-08-31T10:08:03,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e 2025-08-31T10:08:03,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e 2025-08-31T10:08:03,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e 2025-08-31T10:08:03,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e 2025-08-31T10:08:03,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p 2025-08-31T10:08:03,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p 2025-08-31T10:08:03,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e 2025-08-31T10:08:03,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e 2025-08-31T10:08:03,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p 2025-08-31T10:08:03,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p 2025-08-31T10:08:03,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p 2025-08-31T10:08:03,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p 2025-08-31T10:08:03,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p 2025-08-31T10:08:03,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p 2025-08-31T10:08:03,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e 2025-08-31T10:08:03,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e 2025-08-31T10:08:03,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e 2025-08-31T10:08:03,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e 2025-08-31T10:08:03,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p 2025-08-31T10:08:03,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p 2025-08-31T10:08:03,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e 2025-08-31T10:08:03,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e 2025-08-31T10:08:03,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p 2025-08-31T10:08:03,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p 2025-08-31T10:08:03,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e 2025-08-31T10:08:03,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e 2025-08-31T10:08:03,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e 2025-08-31T10:08:03,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e 2025-08-31T10:08:03,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e 2025-08-31T10:08:03,831 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e 2025-08-31T10:08:03,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e 2025-08-31T10:08:03,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e 2025-08-31T10:08:03,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e 2025-08-31T10:08:03,838 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e 2025-08-31T10:08:03,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e 2025-08-31T10:08:03,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e 2025-08-31T10:08:03,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e 2025-08-31T10:08:03,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e 2025-08-31T10:08:03,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p 2025-08-31T10:08:03,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p 2025-08-31T10:08:03,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e 2025-08-31T10:08:03,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e 2025-08-31T10:08:03,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p 2025-08-31T10:08:03,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p 2025-08-31T10:08:03,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p 2025-08-31T10:08:03,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p 2025-08-31T10:08:03,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p 2025-08-31T10:08:03,862 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p 2025-08-31T10:08:03,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e 2025-08-31T10:08:03,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e 2025-08-31T10:08:03,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p 2025-08-31T10:08:03,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p 2025-08-31T10:08:03,871 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p 2025-08-31T10:08:03,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p 2025-08-31T10:08:03,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p 2025-08-31T10:08:03,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p 2025-08-31T10:08:03,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e 2025-08-31T10:08:03,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e 2025-08-31T10:08:03,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p 2025-08-31T10:08:03,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p 2025-08-31T10:08:03,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e 2025-08-31T10:08:03,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e 2025-08-31T10:08:03,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p 2025-08-31T10:08:03,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p 2025-08-31T10:08:03,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p 2025-08-31T10:08:03,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p 2025-08-31T10:08:03,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p 2025-08-31T10:08:03,896 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p 2025-08-31T10:08:03,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p 2025-08-31T10:08:03,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p 2025-08-31T10:08:03,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e 2025-08-31T10:08:03,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e 2025-08-31T10:08:03,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p 2025-08-31T10:08:03,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p 2025-08-31T10:08:03,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e 2025-08-31T10:08:03,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e 2025-08-31T10:08:03,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p 2025-08-31T10:08:03,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p 2025-08-31T10:08:03,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p 2025-08-31T10:08:03,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p 2025-08-31T10:08:03,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e 2025-08-31T10:08:03,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e 2025-08-31T10:08:03,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e 2025-08-31T10:08:03,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e 2025-08-31T10:08:03,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23 2025-08-31T10:08:03,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23 2025-08-31T10:08:03,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A 2025-08-31T10:08:03,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A 2025-08-31T10:08:03,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A 2025-08-31T10:08:03,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A 2025-08-31T10:08:03,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22 2025-08-31T10:08:03,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22 2025-08-31T10:08:03,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A 2025-08-31T10:08:03,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A 2025-08-31T10:08:03,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B 2025-08-31T10:08:03,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B 2025-08-31T10:08:03,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25 2025-08-31T10:08:03,947 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25 2025-08-31T10:08:03,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A 2025-08-31T10:08:03,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A 2025-08-31T10:08:03,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24 2025-08-31T10:08:03,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24 2025-08-31T10:08:03,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B 2025-08-31T10:08:03,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B 2025-08-31T10:08:03,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26 2025-08-31T10:08:03,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26 2025-08-31T10:08:03,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A 2025-08-31T10:08:03,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A 2025-08-31T10:08:03,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B 2025-08-31T10:08:03,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B 2025-08-31T10:08:03,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B 2025-08-31T10:08:03,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B 2025-08-31T10:08:03,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A 2025-08-31T10:08:03,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A 2025-08-31T10:08:03,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B 2025-08-31T10:08:03,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B 2025-08-31T10:08:03,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B 2025-08-31T10:08:03,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B 2025-08-31T10:08:03,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27 2025-08-31T10:08:03,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27 2025-08-31T10:08:03,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F 2025-08-31T10:08:03,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F 2025-08-31T10:08:03,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3 2025-08-31T10:08:03,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3 2025-08-31T10:08:03,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H 2025-08-31T10:08:03,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H 2025-08-31T10:08:03,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3 2025-08-31T10:08:03,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3 2025-08-31T10:08:03,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3 2025-08-31T10:08:04,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3 2025-08-31T10:08:04,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2 2025-08-31T10:08:04,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2 2025-08-31T10:08:04,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2 2025-08-31T10:08:04,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2 2025-08-31T10:08:04,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz 2025-08-31T10:08:04,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz 2025-08-31T10:08:04,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3 2025-08-31T10:08:04,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3 2025-08-31T10:08:04,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut 2025-08-31T10:08:04,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut 2025-08-31T10:08:04,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3 2025-08-31T10:08:04,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3 2025-08-31T10:08:04,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3 2025-08-31T10:08:04,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3 2025-08-31T10:08:04,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch 2025-08-31T10:08:04,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch 2025-08-31T10:08:04,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3 2025-08-31T10:08:04,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3 2025-08-31T10:08:04,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh 2025-08-31T10:08:04,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh 2025-08-31T10:08:04,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3 2025-08-31T10:08:04,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3 2025-08-31T10:08:04,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl 2025-08-31T10:08:04,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl 2025-08-31T10:08:04,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3 2025-08-31T10:08:04,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3 2025-08-31T10:08:04,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3 2025-08-31T10:08:04,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3 2025-08-31T10:08:04,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3 2025-08-31T10:08:04,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3 2025-08-31T10:08:04,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2 2025-08-31T10:08:04,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2 2025-08-31T10:08:04,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5 2025-08-31T10:08:04,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5 2025-08-31T10:08:04,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he 2025-08-31T10:08:04,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he 2025-08-31T10:08:04,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75 2025-08-31T10:08:04,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75 2025-08-31T10:08:04,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75 2025-08-31T10:08:04,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75 2025-08-31T10:08:04,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0 2025-08-31T10:08:04,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0 2025-08-31T10:08:04,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o 2025-08-31T10:08:04,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o 2025-08-31T10:08:04,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3 2025-08-31T10:08:04,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3 2025-08-31T10:08:04,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0 2025-08-31T10:08:04,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0 2025-08-31T10:08:04,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75 2025-08-31T10:08:04,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75 2025-08-31T10:08:04,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0 2025-08-31T10:08:04,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0 2025-08-31T10:08:04,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+ 2025-08-31T10:08:04,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+ 2025-08-31T10:08:04,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25 2025-08-31T10:08:04,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25 2025-08-31T10:08:04,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5 2025-08-31T10:08:04,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5 2025-08-31T10:08:04,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25 2025-08-31T10:08:04,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25 2025-08-31T10:08:04,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25 2025-08-31T10:08:04,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25 2025-08-31T10:08:04,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0 2025-08-31T10:08:04,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0 2025-08-31T10:08:04,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h 2025-08-31T10:08:04,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h 2025-08-31T10:08:04,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+ 2025-08-31T10:08:04,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+ 2025-08-31T10:08:04,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5 2025-08-31T10:08:04,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5 2025-08-31T10:08:04,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25 2025-08-31T10:08:04,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25 2025-08-31T10:08:04,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5 2025-08-31T10:08:04,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5 2025-08-31T10:08:04,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75 2025-08-31T10:08:04,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75 2025-08-31T10:08:04,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+ 2025-08-31T10:08:04,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+ 2025-08-31T10:08:04,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p 2025-08-31T10:08:04,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p 2025-08-31T10:08:04,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m 2025-08-31T10:08:04,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m 2025-08-31T10:08:04,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a 2025-08-31T10:08:04,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a 2025-08-31T10:08:04,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z 2025-08-31T10:08:04,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z 2025-08-31T10:08:04,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b 2025-08-31T10:08:04,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b 2025-08-31T10:08:04,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e 2025-08-31T10:08:04,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e 2025-08-31T10:08:04,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a 2025-08-31T10:08:04,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a 2025-08-31T10:08:04,159 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h 2025-08-31T10:08:04,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h 2025-08-31T10:08:04,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a 2025-08-31T10:08:04,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a 2025-08-31T10:08:04,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a 2025-08-31T10:08:04,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a 2025-08-31T10:08:04,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d 2025-08-31T10:08:04,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d 2025-08-31T10:08:04,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g 2025-08-31T10:08:04,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g 2025-08-31T10:08:04,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p 2025-08-31T10:08:04,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p 2025-08-31T10:08:04,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a 2025-08-31T10:08:04,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a 2025-08-31T10:08:04,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a 2025-08-31T10:08:04,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a 2025-08-31T10:08:04,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f 2025-08-31T10:08:04,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f 2025-08-31T10:08:04,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b 2025-08-31T10:08:04,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b 2025-08-31T10:08:04,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p 2025-08-31T10:08:04,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p 2025-08-31T10:08:04,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c 2025-08-31T10:08:04,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c 2025-08-31T10:08:04,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b 2025-08-31T10:08:04,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b 2025-08-31T10:08:04,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d 2025-08-31T10:08:04,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d 2025-08-31T10:08:04,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p 2025-08-31T10:08:04,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p 2025-08-31T10:08:04,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b 2025-08-31T10:08:04,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b 2025-08-31T10:08:04,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa 2025-08-31T10:08:04,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa 2025-08-31T10:08:04,217 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4 2025-08-31T10:08:04,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4 2025-08-31T10:08:04,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8 2025-08-31T10:08:04,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8 2025-08-31T10:08:04,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3 2025-08-31T10:08:04,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3 2025-08-31T10:08:04,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10 2025-08-31T10:08:04,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10 2025-08-31T10:08:04,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7 2025-08-31T10:08:04,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7 2025-08-31T10:08:04,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6 2025-08-31T10:08:04,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6 2025-08-31T10:08:04,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1 2025-08-31T10:08:04,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1 2025-08-31T10:08:04,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2 2025-08-31T10:08:04,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2 2025-08-31T10:08:04,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5 2025-08-31T10:08:04,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5 2025-08-31T10:08:04,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9 2025-08-31T10:08:04,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9 2025-08-31T10:08:04,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a 2025-08-31T10:08:04,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a 2025-08-31T10:08:04,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b 2025-08-31T10:08:04,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b 2025-08-31T10:08:04,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a 2025-08-31T10:08:04,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a 2025-08-31T10:08:04,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a 2025-08-31T10:08:04,263 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a 2025-08-31T10:08:04,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b 2025-08-31T10:08:04,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b 2025-08-31T10:08:04,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b 2025-08-31T10:08:04,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b 2025-08-31T10:08:04,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b 2025-08-31T10:08:04,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b 2025-08-31T10:08:04,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a 2025-08-31T10:08:04,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a 2025-08-31T10:08:04,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a 2025-08-31T10:08:04,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a 2025-08-31T10:08:04,284 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a 2025-08-31T10:08:04,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a 2025-08-31T10:08:04,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c 2025-08-31T10:08:04,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c 2025-08-31T10:08:04,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d 2025-08-31T10:08:04,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d 2025-08-31T10:08:04,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d 2025-08-31T10:08:04,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d 2025-08-31T10:08:04,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a 2025-08-31T10:08:04,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a 2025-08-31T10:08:04,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a 2025-08-31T10:08:04,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a 2025-08-31T10:08:04,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a 2025-08-31T10:08:04,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a 2025-08-31T10:08:04,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b 2025-08-31T10:08:04,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b 2025-08-31T10:08:04,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b 2025-08-31T10:08:04,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b 2025-08-31T10:08:04,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b 2025-08-31T10:08:04,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b 2025-08-31T10:08:04,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a 2025-08-31T10:08:04,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a 2025-08-31T10:08:04,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b 2025-08-31T10:08:04,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b 2025-08-31T10:08:04,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c 2025-08-31T10:08:04,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c 2025-08-31T10:08:04,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b 2025-08-31T10:08:04,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b 2025-08-31T10:08:04,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b 2025-08-31T10:08:04,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b 2025-08-31T10:08:04,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c 2025-08-31T10:08:04,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c 2025-08-31T10:08:04,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2 2025-08-31T10:08:04,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2 2025-08-31T10:08:04,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene 2025-08-31T10:08:04,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene 2025-08-31T10:08:04,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11 2025-08-31T10:08:04,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11 2025-08-31T10:08:04,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S 2025-08-31T10:08:04,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S 2025-08-31T10:08:04,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H 2025-08-31T10:08:04,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H 2025-08-31T10:08:04,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane 2025-08-31T10:08:04,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane 2025-08-31T10:08:04,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane 2025-08-31T10:08:04,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane 2025-08-31T10:08:04,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole 2025-08-31T10:08:04,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole 2025-08-31T10:08:04,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H 2025-08-31T10:08:04,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H 2025-08-31T10:08:04,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3 2025-08-31T10:08:04,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3 2025-08-31T10:08:04,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2 2025-08-31T10:08:04,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2 2025-08-31T10:08:04,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol 2025-08-31T10:08:04,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol 2025-08-31T10:08:04,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole 2025-08-31T10:08:04,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole 2025-08-31T10:08:04,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2 2025-08-31T10:08:04,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2 2025-08-31T10:08:04,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene 2025-08-31T10:08:04,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene 2025-08-31T10:08:04,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole 2025-08-31T10:08:04,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole 2025-08-31T10:08:04,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH 2025-08-31T10:08:04,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH 2025-08-31T10:08:04,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine 2025-08-31T10:08:04,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine 2025-08-31T10:08:04,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene 2025-08-31T10:08:04,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene 2025-08-31T10:08:04,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2 2025-08-31T10:08:04,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2 2025-08-31T10:08:04,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane 2025-08-31T10:08:04,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane 2025-08-31T10:08:04,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene 2025-08-31T10:08:04,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene 2025-08-31T10:08:04,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO 2025-08-31T10:08:04,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO 2025-08-31T10:08:04,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane 2025-08-31T10:08:04,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane 2025-08-31T10:08:04,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2 2025-08-31T10:08:04,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2 2025-08-31T10:08:04,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2 2025-08-31T10:08:04,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2 2025-08-31T10:08:04,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran 2025-08-31T10:08:04,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran 2025-08-31T10:08:04,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN 2025-08-31T10:08:04,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN 2025-08-31T10:08:04,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane 2025-08-31T10:08:04,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane 2025-08-31T10:08:04,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2 2025-08-31T10:08:04,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2 2025-08-31T10:08:04,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole 2025-08-31T10:08:04,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole 2025-08-31T10:08:04,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene 2025-08-31T10:08:04,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene 2025-08-31T10:08:04,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2 2025-08-31T10:08:04,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2 2025-08-31T10:08:04,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO 2025-08-31T10:08:04,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO 2025-08-31T10:08:04,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol 2025-08-31T10:08:04,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol 2025-08-31T10:08:04,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene 2025-08-31T10:08:04,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene 2025-08-31T10:08:04,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2 2025-08-31T10:08:04,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2 2025-08-31T10:08:04,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3 2025-08-31T10:08:04,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3 2025-08-31T10:08:04,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone 2025-08-31T10:08:04,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone 2025-08-31T10:08:04,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone 2025-08-31T10:08:04,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone 2025-08-31T10:08:04,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2 2025-08-31T10:08:04,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2 2025-08-31T10:08:04,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne 2025-08-31T10:08:04,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne 2025-08-31T10:08:04,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane 2025-08-31T10:08:04,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane 2025-08-31T10:08:04,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H 2025-08-31T10:08:04,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H 2025-08-31T10:08:04,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine 2025-08-31T10:08:04,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine 2025-08-31T10:08:04,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2 2025-08-31T10:08:04,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2 2025-08-31T10:08:04,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2 2025-08-31T10:08:04,492 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2 2025-08-31T10:08:04,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2 2025-08-31T10:08:04,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2 2025-08-31T10:08:04,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2 2025-08-31T10:08:04,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2 2025-08-31T10:08:04,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene 2025-08-31T10:08:04,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene 2025-08-31T10:08:04,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO 2025-08-31T10:08:04,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO 2025-08-31T10:08:04,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2 2025-08-31T10:08:04,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2 2025-08-31T10:08:04,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne 2025-08-31T10:08:04,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne 2025-08-31T10:08:04,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane 2025-08-31T10:08:04,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane 2025-08-31T10:08:04,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3 2025-08-31T10:08:04,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3 2025-08-31T10:08:04,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2 2025-08-31T10:08:04,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2 2025-08-31T10:08:04,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne 2025-08-31T10:08:04,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne 2025-08-31T10:08:04,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO 2025-08-31T10:08:04,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO 2025-08-31T10:08:04,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O 2025-08-31T10:08:04,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O 2025-08-31T10:08:04,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane 2025-08-31T10:08:04,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane 2025-08-31T10:08:04,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2 2025-08-31T10:08:04,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2 2025-08-31T10:08:04,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2025-08-31T10:08:04,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2025-08-31T10:08:04,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3 2025-08-31T10:08:04,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3 2025-08-31T10:08:04,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene 2025-08-31T10:08:04,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene 2025-08-31T10:08:04,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane 2025-08-31T10:08:04,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane 2025-08-31T10:08:04,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne 2025-08-31T10:08:04,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne 2025-08-31T10:08:04,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol 2025-08-31T10:08:04,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol 2025-08-31T10:08:04,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane 2025-08-31T10:08:04,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane 2025-08-31T10:08:04,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H 2025-08-31T10:08:04,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H 2025-08-31T10:08:04,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione 2025-08-31T10:08:04,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione 2025-08-31T10:08:04,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H 2025-08-31T10:08:04,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H 2025-08-31T10:08:04,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene 2025-08-31T10:08:04,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene 2025-08-31T10:08:04,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN 2025-08-31T10:08:04,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN 2025-08-31T10:08:04,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran 2025-08-31T10:08:04,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran 2025-08-31T10:08:04,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene 2025-08-31T10:08:04,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene 2025-08-31T10:08:04,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO 2025-08-31T10:08:04,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO 2025-08-31T10:08:04,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl 2025-08-31T10:08:04,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl 2025-08-31T10:08:04,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3 2025-08-31T10:08:04,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3 2025-08-31T10:08:04,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene 2025-08-31T10:08:04,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene 2025-08-31T10:08:04,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene 2025-08-31T10:08:04,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene 2025-08-31T10:08:04,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO 2025-08-31T10:08:04,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO 2025-08-31T10:08:04,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2 2025-08-31T10:08:04,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2 2025-08-31T10:08:04,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2 2025-08-31T10:08:04,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2 2025-08-31T10:08:04,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O 2025-08-31T10:08:04,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O 2025-08-31T10:08:04,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol 2025-08-31T10:08:04,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol 2025-08-31T10:08:04,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2025-08-31T10:08:04,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2025-08-31T10:08:04,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO 2025-08-31T10:08:04,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO 2025-08-31T10:08:04,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5 2025-08-31T10:08:04,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5 2025-08-31T10:08:04,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29 2025-08-31T10:08:04,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29 2025-08-31T10:08:04,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45 2025-08-31T10:08:04,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45 2025-08-31T10:08:04,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1 2025-08-31T10:08:04,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1 2025-08-31T10:08:04,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13 2025-08-31T10:08:04,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13 2025-08-31T10:08:04,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35 2025-08-31T10:08:04,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35 2025-08-31T10:08:04,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40 2025-08-31T10:08:04,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40 2025-08-31T10:08:04,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17 2025-08-31T10:08:04,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17 2025-08-31T10:08:04,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18 2025-08-31T10:08:04,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18 2025-08-31T10:08:04,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17 2025-08-31T10:08:04,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17 2025-08-31T10:08:04,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36 2025-08-31T10:08:04,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36 2025-08-31T10:08:04,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15 2025-08-31T10:08:04,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15 2025-08-31T10:08:04,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32 2025-08-31T10:08:04,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32 2025-08-31T10:08:04,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42 2025-08-31T10:08:04,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42 2025-08-31T10:08:04,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12 2025-08-31T10:08:04,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12 2025-08-31T10:08:04,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40 2025-08-31T10:08:04,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40 2025-08-31T10:08:04,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5 2025-08-31T10:08:04,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5 2025-08-31T10:08:04,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6 2025-08-31T10:08:04,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6 2025-08-31T10:08:04,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28 2025-08-31T10:08:04,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28 2025-08-31T10:08:04,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36 2025-08-31T10:08:04,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36 2025-08-31T10:08:04,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22 2025-08-31T10:08:04,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22 2025-08-31T10:08:04,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33 2025-08-31T10:08:04,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33 2025-08-31T10:08:04,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44 2025-08-31T10:08:04,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44 2025-08-31T10:08:04,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18 2025-08-31T10:08:04,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18 2025-08-31T10:08:04,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7 2025-08-31T10:08:04,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7 2025-08-31T10:08:04,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20 2025-08-31T10:08:04,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20 2025-08-31T10:08:04,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25 2025-08-31T10:08:04,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25 2025-08-31T10:08:04,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23 2025-08-31T10:08:04,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23 2025-08-31T10:08:04,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8 2025-08-31T10:08:04,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8 2025-08-31T10:08:04,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3 2025-08-31T10:08:04,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3 2025-08-31T10:08:04,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4 2025-08-31T10:08:04,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4 2025-08-31T10:08:04,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7 2025-08-31T10:08:04,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7 2025-08-31T10:08:04,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19 2025-08-31T10:08:04,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19 2025-08-31T10:08:04,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27 2025-08-31T10:08:04,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27 2025-08-31T10:08:04,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30 2025-08-31T10:08:04,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30 2025-08-31T10:08:04,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33 2025-08-31T10:08:04,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33 2025-08-31T10:08:04,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9 2025-08-31T10:08:04,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9 2025-08-31T10:08:04,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27 2025-08-31T10:08:04,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27 2025-08-31T10:08:04,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43 2025-08-31T10:08:04,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43 2025-08-31T10:08:04,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25 2025-08-31T10:08:04,763 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25 2025-08-31T10:08:04,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16 2025-08-31T10:08:04,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16 2025-08-31T10:08:04,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21 2025-08-31T10:08:04,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21 2025-08-31T10:08:04,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12 2025-08-31T10:08:04,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12 2025-08-31T10:08:04,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43 2025-08-31T10:08:04,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43 2025-08-31T10:08:04,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6 2025-08-31T10:08:04,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6 2025-08-31T10:08:04,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39 2025-08-31T10:08:04,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39 2025-08-31T10:08:04,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31 2025-08-31T10:08:04,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31 2025-08-31T10:08:04,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4 2025-08-31T10:08:04,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4 2025-08-31T10:08:04,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16 2025-08-31T10:08:04,792 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16 2025-08-31T10:08:04,794 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2 2025-08-31T10:08:04,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2 2025-08-31T10:08:04,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20 2025-08-31T10:08:04,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20 2025-08-31T10:08:04,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35 2025-08-31T10:08:04,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35 2025-08-31T10:08:04,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37 2025-08-31T10:08:04,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37 2025-08-31T10:08:04,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13 2025-08-31T10:08:04,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13 2025-08-31T10:08:04,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39 2025-08-31T10:08:04,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39 2025-08-31T10:08:04,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30 2025-08-31T10:08:04,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30 2025-08-31T10:08:04,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24 2025-08-31T10:08:04,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24 2025-08-31T10:08:04,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42 2025-08-31T10:08:04,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42 2025-08-31T10:08:04,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34 2025-08-31T10:08:04,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34 2025-08-31T10:08:04,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24 2025-08-31T10:08:04,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24 2025-08-31T10:08:04,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19 2025-08-31T10:08:04,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19 2025-08-31T10:08:04,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34 2025-08-31T10:08:04,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34 2025-08-31T10:08:04,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31 2025-08-31T10:08:04,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31 2025-08-31T10:08:04,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38 2025-08-31T10:08:04,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38 2025-08-31T10:08:04,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22 2025-08-31T10:08:04,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22 2025-08-31T10:08:04,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8 2025-08-31T10:08:04,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8 2025-08-31T10:08:04,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23 2025-08-31T10:08:04,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23 2025-08-31T10:08:04,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1 2025-08-31T10:08:04,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1 2025-08-31T10:08:04,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26 2025-08-31T10:08:04,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26 2025-08-31T10:08:04,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38 2025-08-31T10:08:04,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38 2025-08-31T10:08:04,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10 2025-08-31T10:08:04,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10 2025-08-31T10:08:04,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41 2025-08-31T10:08:04,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41 2025-08-31T10:08:04,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45 2025-08-31T10:08:04,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45 2025-08-31T10:08:04,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21 2025-08-31T10:08:04,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21 2025-08-31T10:08:04,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37 2025-08-31T10:08:04,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37 2025-08-31T10:08:04,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9 2025-08-31T10:08:04,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9 2025-08-31T10:08:04,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11 2025-08-31T10:08:04,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11 2025-08-31T10:08:04,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32 2025-08-31T10:08:04,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32 2025-08-31T10:08:04,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15 2025-08-31T10:08:04,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15 2025-08-31T10:08:04,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28 2025-08-31T10:08:04,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28 2025-08-31T10:08:04,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26 2025-08-31T10:08:04,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26 2025-08-31T10:08:04,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29 2025-08-31T10:08:04,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29 2025-08-31T10:08:04,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3 2025-08-31T10:08:04,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3 2025-08-31T10:08:04,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41 2025-08-31T10:08:04,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41 2025-08-31T10:08:04,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2 2025-08-31T10:08:04,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2 2025-08-31T10:08:04,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44 2025-08-31T10:08:04,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44 2025-08-31T10:08:04,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10 2025-08-31T10:08:04,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10 2025-08-31T10:08:04,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11 2025-08-31T10:08:04,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11 2025-08-31T10:08:04,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio 2025-08-31T10:08:04,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio 2025-08-31T10:08:04,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf 2025-08-31T10:08:04,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf 2025-08-31T10:08:04,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k 2025-08-31T10:08:04,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k 2025-08-31T10:08:04,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be 2025-08-31T10:08:04,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be 2025-08-31T10:08:04,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s 2025-08-31T10:08:04,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s 2025-08-31T10:08:04,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf 2025-08-31T10:08:04,947 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf 2025-08-31T10:08:04,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo 2025-08-31T10:08:04,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo 2025-08-31T10:08:04,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o 2025-08-31T10:08:04,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o 2025-08-31T10:08:04,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo 2025-08-31T10:08:04,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo 2025-08-31T10:08:04,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs 2025-08-31T10:08:04,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs 2025-08-31T10:08:04,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao 2025-08-31T10:08:04,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao 2025-08-31T10:08:04,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao 2025-08-31T10:08:04,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao 2025-08-31T10:08:04,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg 2025-08-31T10:08:04,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg 2025-08-31T10:08:04,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li 2025-08-31T10:08:04,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li 2025-08-31T10:08:04,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h 2025-08-31T10:08:04,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h 2025-08-31T10:08:04,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca 2025-08-31T10:08:04,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca 2025-08-31T10:08:04,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na 2025-08-31T10:08:04,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na 2025-08-31T10:08:04,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif 2025-08-31T10:08:04,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif 2025-08-31T10:08:04,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f 2025-08-31T10:08:04,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f 2025-08-31T10:08:04,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef 2025-08-31T10:08:04,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef 2025-08-31T10:08:04,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121 2025-08-31T10:08:04,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121 2025-08-31T10:08:04,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94 2025-08-31T10:08:04,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94 2025-08-31T10:08:05,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68 2025-08-31T10:08:05,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68 2025-08-31T10:08:05,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23 2025-08-31T10:08:05,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23 2025-08-31T10:08:05,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8 2025-08-31T10:08:05,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8 2025-08-31T10:08:05,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30 2025-08-31T10:08:05,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30 2025-08-31T10:08:05,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57 2025-08-31T10:08:05,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57 2025-08-31T10:08:05,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106 2025-08-31T10:08:05,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106 2025-08-31T10:08:05,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56 2025-08-31T10:08:05,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56 2025-08-31T10:08:05,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60 2025-08-31T10:08:05,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60 2025-08-31T10:08:05,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61 2025-08-31T10:08:05,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61 2025-08-31T10:08:05,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88 2025-08-31T10:08:05,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88 2025-08-31T10:08:05,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126 2025-08-31T10:08:05,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126 2025-08-31T10:08:05,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34 2025-08-31T10:08:05,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34 2025-08-31T10:08:05,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113 2025-08-31T10:08:05,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113 2025-08-31T10:08:05,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73 2025-08-31T10:08:05,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73 2025-08-31T10:08:05,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118 2025-08-31T10:08:05,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118 2025-08-31T10:08:05,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97 2025-08-31T10:08:05,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97 2025-08-31T10:08:05,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67 2025-08-31T10:08:05,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67 2025-08-31T10:08:05,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22 2025-08-31T10:08:05,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22 2025-08-31T10:08:05,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18 2025-08-31T10:08:05,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18 2025-08-31T10:08:05,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52 2025-08-31T10:08:05,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52 2025-08-31T10:08:05,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59 2025-08-31T10:08:05,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59 2025-08-31T10:08:05,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40 2025-08-31T10:08:05,071 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40 2025-08-31T10:08:05,073 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47 2025-08-31T10:08:05,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47 2025-08-31T10:08:05,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21 2025-08-31T10:08:05,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21 2025-08-31T10:08:05,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66 2025-08-31T10:08:05,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66 2025-08-31T10:08:05,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13 2025-08-31T10:08:05,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13 2025-08-31T10:08:05,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58 2025-08-31T10:08:05,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58 2025-08-31T10:08:05,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25 2025-08-31T10:08:05,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25 2025-08-31T10:08:05,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32 2025-08-31T10:08:05,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32 2025-08-31T10:08:05,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6 2025-08-31T10:08:05,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6 2025-08-31T10:08:05,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14 2025-08-31T10:08:05,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14 2025-08-31T10:08:05,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1 2025-08-31T10:08:05,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1 2025-08-31T10:08:05,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24 2025-08-31T10:08:05,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24 2025-08-31T10:08:05,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45 2025-08-31T10:08:05,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45 2025-08-31T10:08:05,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26 2025-08-31T10:08:05,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26 2025-08-31T10:08:05,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104 2025-08-31T10:08:05,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104 2025-08-31T10:08:05,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100 2025-08-31T10:08:05,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100 2025-08-31T10:08:05,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33 2025-08-31T10:08:05,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33 2025-08-31T10:08:05,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51 2025-08-31T10:08:05,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51 2025-08-31T10:08:05,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39 2025-08-31T10:08:05,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39 2025-08-31T10:08:05,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117 2025-08-31T10:08:05,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117 2025-08-31T10:08:05,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128 2025-08-31T10:08:05,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128 2025-08-31T10:08:05,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82 2025-08-31T10:08:05,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82 2025-08-31T10:08:05,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62 2025-08-31T10:08:05,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62 2025-08-31T10:08:05,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11 2025-08-31T10:08:05,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11 2025-08-31T10:08:05,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n 2025-08-31T10:08:05,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n 2025-08-31T10:08:05,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n 2025-08-31T10:08:05,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n 2025-08-31T10:08:05,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s 2025-08-31T10:08:05,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s 2025-08-31T10:08:05,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10 2025-08-31T10:08:05,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10 2025-08-31T10:08:05,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11 2025-08-31T10:08:05,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11 2025-08-31T10:08:05,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8 2025-08-31T10:08:05,169 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8 2025-08-31T10:08:05,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n 2025-08-31T10:08:05,172 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n 2025-08-31T10:08:05,174 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16 2025-08-31T10:08:05,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16 2025-08-31T10:08:05,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n 2025-08-31T10:08:05,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n 2025-08-31T10:08:05,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n 2025-08-31T10:08:05,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n 2025-08-31T10:08:05,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13 2025-08-31T10:08:05,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13 2025-08-31T10:08:05,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20 2025-08-31T10:08:05,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20 2025-08-31T10:08:05,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19 2025-08-31T10:08:05,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19 2025-08-31T10:08:05,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n 2025-08-31T10:08:05,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n 2025-08-31T10:08:05,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n 2025-08-31T10:08:05,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n 2025-08-31T10:08:05,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p- 2025-08-31T10:08:05,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p- 2025-08-31T10:08:05,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c- 2025-08-31T10:08:05,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c- 2025-08-31T10:08:05,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o- 2025-08-31T10:08:05,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o- 2025-08-31T10:08:05,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22 2025-08-31T10:08:05,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22 2025-08-31T10:08:05,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23 2025-08-31T10:08:05,215 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23 2025-08-31T10:08:05,217 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12 2025-08-31T10:08:05,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12 2025-08-31T10:08:05,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si 2025-08-31T10:08:05,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si 2025-08-31T10:08:05,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl 2025-08-31T10:08:05,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl 2025-08-31T10:08:05,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9 2025-08-31T10:08:05,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9 2025-08-31T10:08:05,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15 2025-08-31T10:08:05,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15 2025-08-31T10:08:05,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25 2025-08-31T10:08:05,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25 2025-08-31T10:08:05,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si- 2025-08-31T10:08:05,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si- 2025-08-31T10:08:05,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n 2025-08-31T10:08:05,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n 2025-08-31T10:08:05,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl- 2025-08-31T10:08:05,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl- 2025-08-31T10:08:05,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n 2025-08-31T10:08:05,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n 2025-08-31T10:08:05,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f- 2025-08-31T10:08:05,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f- 2025-08-31T10:08:05,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f 2025-08-31T10:08:05,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f 2025-08-31T10:08:05,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14 2025-08-31T10:08:05,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14 2025-08-31T10:08:05,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c 2025-08-31T10:08:05,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c 2025-08-31T10:08:05,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17 2025-08-31T10:08:05,263 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17 2025-08-31T10:08:05,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n 2025-08-31T10:08:05,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n 2025-08-31T10:08:05,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n 2025-08-31T10:08:05,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n 2025-08-31T10:08:05,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n 2025-08-31T10:08:05,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n 2025-08-31T10:08:05,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n 2025-08-31T10:08:05,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n 2025-08-31T10:08:05,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s- 2025-08-31T10:08:05,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s- 2025-08-31T10:08:05,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n 2025-08-31T10:08:05,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n 2025-08-31T10:08:05,284 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n 2025-08-31T10:08:05,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n 2025-08-31T10:08:05,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n 2025-08-31T10:08:05,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n 2025-08-31T10:08:05,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o 2025-08-31T10:08:05,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o 2025-08-31T10:08:05,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n 2025-08-31T10:08:05,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n 2025-08-31T10:08:05,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p 2025-08-31T10:08:05,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p 2025-08-31T10:08:05,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24 2025-08-31T10:08:05,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24 2025-08-31T10:08:05,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18 2025-08-31T10:08:05,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18 2025-08-31T10:08:05,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n 2025-08-31T10:08:05,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n 2025-08-31T10:08:05,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21 2025-08-31T10:08:05,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21 2025-08-31T10:08:05,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5 2025-08-31T10:08:05,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5 2025-08-31T10:08:05,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5 2025-08-31T10:08:05,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5 2025-08-31T10:08:05,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3 2025-08-31T10:08:05,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3 2025-08-31T10:08:05,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7 2025-08-31T10:08:05,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7 2025-08-31T10:08:05,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4 2025-08-31T10:08:05,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4 2025-08-31T10:08:05,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6 2025-08-31T10:08:05,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6 2025-08-31T10:08:05,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2 2025-08-31T10:08:05,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2 2025-08-31T10:08:05,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6 2025-08-31T10:08:05,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6 2025-08-31T10:08:05,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7 2025-08-31T10:08:05,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7 2025-08-31T10:08:05,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4 2025-08-31T10:08:05,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4 2025-08-31T10:08:05,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3 2025-08-31T10:08:05,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3 2025-08-31T10:08:05,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2 2025-08-31T10:08:05,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2 2025-08-31T10:08:05,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3 2025-08-31T10:08:05,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3 2025-08-31T10:08:05,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4 2025-08-31T10:08:05,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4 2025-08-31T10:08:05,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5 2025-08-31T10:08:05,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5 2025-08-31T10:08:05,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4 2025-08-31T10:08:05,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4 2025-08-31T10:08:05,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts 2025-08-31T10:08:05,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts 2025-08-31T10:08:05,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts 2025-08-31T10:08:05,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts 2025-08-31T10:08:05,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o 2025-08-31T10:08:05,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o 2025-08-31T10:08:05,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3 2025-08-31T10:08:05,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3 2025-08-31T10:08:05,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6 2025-08-31T10:08:05,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6 2025-08-31T10:08:05,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2 2025-08-31T10:08:05,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2 2025-08-31T10:08:05,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf 2025-08-31T10:08:05,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf 2025-08-31T10:08:05,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5 2025-08-31T10:08:05,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5 2025-08-31T10:08:05,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts 2025-08-31T10:08:05,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts 2025-08-31T10:08:05,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2 2025-08-31T10:08:05,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2 2025-08-31T10:08:05,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts 2025-08-31T10:08:05,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts 2025-08-31T10:08:05,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4 2025-08-31T10:08:05,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4 2025-08-31T10:08:05,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3 2025-08-31T10:08:05,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3 2025-08-31T10:08:05,412 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts 2025-08-31T10:08:05,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts 2025-08-31T10:08:05,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6 2025-08-31T10:08:05,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6 2025-08-31T10:08:05,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts 2025-08-31T10:08:05,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts 2025-08-31T10:08:05,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts 2025-08-31T10:08:05,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts 2025-08-31T10:08:05,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts 2025-08-31T10:08:05,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts 2025-08-31T10:08:05,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts 2025-08-31T10:08:05,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts 2025-08-31T10:08:05,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts 2025-08-31T10:08:05,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts 2025-08-31T10:08:05,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts 2025-08-31T10:08:05,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts 2025-08-31T10:08:05,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts 2025-08-31T10:08:05,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts 2025-08-31T10:08:05,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2 2025-08-31T10:08:05,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2 2025-08-31T10:08:05,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3 2025-08-31T10:08:05,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3 2025-08-31T10:08:05,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts 2025-08-31T10:08:05,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts 2025-08-31T10:08:05,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1 2025-08-31T10:08:05,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1 2025-08-31T10:08:05,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH 2025-08-31T10:08:05,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH 2025-08-31T10:08:05,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein 2025-08-31T10:08:05,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein 2025-08-31T10:08:05,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X 2025-08-31T10:08:05,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X 2025-08-31T10:08:05,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5 2025-08-31T10:08:05,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5 2025-08-31T10:08:05,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene 2025-08-31T10:08:05,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene 2025-08-31T10:08:05,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7 2025-08-31T10:08:05,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7 2025-08-31T10:08:05,474 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8 2025-08-31T10:08:05,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8 2025-08-31T10:08:05,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane 2025-08-31T10:08:05,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane 2025-08-31T10:08:05,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3 2025-08-31T10:08:05,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3 2025-08-31T10:08:05,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6 2025-08-31T10:08:05,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6 2025-08-31T10:08:05,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4 2025-08-31T10:08:05,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4 2025-08-31T10:08:05,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine 2025-08-31T10:08:05,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine 2025-08-31T10:08:05,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X 2025-08-31T10:08:05,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X 2025-08-31T10:08:05,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X 2025-08-31T10:08:05,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X 2025-08-31T10:08:05,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene 2025-08-31T10:08:05,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene 2025-08-31T10:08:05,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10 2025-08-31T10:08:05,504 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10 2025-08-31T10:08:05,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene 2025-08-31T10:08:05,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene 2025-08-31T10:08:05,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene 2025-08-31T10:08:05,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene 2025-08-31T10:08:05,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9 2025-08-31T10:08:05,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9 2025-08-31T10:08:05,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2 2025-08-31T10:08:05,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2 2025-08-31T10:08:05,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X 2025-08-31T10:08:05,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X 2025-08-31T10:08:05,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6 2025-08-31T10:08:05,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6 2025-08-31T10:08:05,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b 2025-08-31T10:08:05,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b 2025-08-31T10:08:05,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs 2025-08-31T10:08:05,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs 2025-08-31T10:08:05,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6 2025-08-31T10:08:05,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6 2025-08-31T10:08:05,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O 2025-08-31T10:08:05,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O 2025-08-31T10:08:05,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d 2025-08-31T10:08:05,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d 2025-08-31T10:08:05,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2 2025-08-31T10:08:05,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2 2025-08-31T10:08:05,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3 2025-08-31T10:08:05,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3 2025-08-31T10:08:05,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4 2025-08-31T10:08:05,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4 2025-08-31T10:08:05,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2 2025-08-31T10:08:05,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2 2025-08-31T10:08:05,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5 2025-08-31T10:08:05,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5 2025-08-31T10:08:05,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5 2025-08-31T10:08:05,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5 2025-08-31T10:08:05,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs 2025-08-31T10:08:05,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs 2025-08-31T10:08:05,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2 2025-08-31T10:08:05,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2 2025-08-31T10:08:05,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4 2025-08-31T10:08:05,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4 2025-08-31T10:08:05,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20 2025-08-31T10:08:05,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20 2025-08-31T10:08:05,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d 2025-08-31T10:08:05,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d 2025-08-31T10:08:05,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3 2025-08-31T10:08:05,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3 2025-08-31T10:08:05,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op 2025-08-31T10:08:05,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op 2025-08-31T10:08:05,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4 2025-08-31T10:08:05,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4 2025-08-31T10:08:05,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c 2025-08-31T10:08:05,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c 2025-08-31T10:08:05,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O 2025-08-31T10:08:05,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O 2025-08-31T10:08:05,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm 2025-08-31T10:08:05,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm 2025-08-31T10:08:05,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2 2025-08-31T10:08:05,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2 2025-08-31T10:08:05,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm 2025-08-31T10:08:05,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm 2025-08-31T10:08:05,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc 2025-08-31T10:08:05,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc 2025-08-31T10:08:05,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d 2025-08-31T10:08:05,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d 2025-08-31T10:08:05,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es 2025-08-31T10:08:05,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es 2025-08-31T10:08:05,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O 2025-08-31T10:08:05,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O 2025-08-31T10:08:05,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3 2025-08-31T10:08:05,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3 2025-08-31T10:08:05,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f- 2025-08-31T10:08:05,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f- 2025-08-31T10:08:05,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S 2025-08-31T10:08:05,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S 2025-08-31T10:08:05,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08 2025-08-31T10:08:05,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08 2025-08-31T10:08:05,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts 2025-08-31T10:08:05,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts 2025-08-31T10:08:05,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh 2025-08-31T10:08:05,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh 2025-08-31T10:08:05,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc 2025-08-31T10:08:05,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc 2025-08-31T10:08:05,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7 2025-08-31T10:08:05,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7 2025-08-31T10:08:05,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06 2025-08-31T10:08:05,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06 2025-08-31T10:08:05,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O 2025-08-31T10:08:05,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O 2025-08-31T10:08:05,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07 2025-08-31T10:08:05,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07 2025-08-31T10:08:05,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts 2025-08-31T10:08:05,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts 2025-08-31T10:08:05,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21 2025-08-31T10:08:05,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21 2025-08-31T10:08:05,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf 2025-08-31T10:08:05,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf 2025-08-31T10:08:05,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts 2025-08-31T10:08:05,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts 2025-08-31T10:08:05,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22 2025-08-31T10:08:05,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22 2025-08-31T10:08:05,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13 2025-08-31T10:08:05,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13 2025-08-31T10:08:05,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts 2025-08-31T10:08:05,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts 2025-08-31T10:08:05,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5 2025-08-31T10:08:05,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5 2025-08-31T10:08:05,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1 2025-08-31T10:08:05,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1 2025-08-31T10:08:05,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2 2025-08-31T10:08:05,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2 2025-08-31T10:08:05,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12 2025-08-31T10:08:05,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12 2025-08-31T10:08:05,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh- 2025-08-31T10:08:05,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh- 2025-08-31T10:08:05,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco 2025-08-31T10:08:05,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco 2025-08-31T10:08:05,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf 2025-08-31T10:08:05,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf 2025-08-31T10:08:05,700 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2 2025-08-31T10:08:05,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2 2025-08-31T10:08:05,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4 2025-08-31T10:08:05,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4 2025-08-31T10:08:05,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts 2025-08-31T10:08:05,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts 2025-08-31T10:08:05,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2 2025-08-31T10:08:05,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2 2025-08-31T10:08:05,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp 2025-08-31T10:08:05,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp 2025-08-31T10:08:05,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH 2025-08-31T10:08:05,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH 2025-08-31T10:08:05,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f 2025-08-31T10:08:05,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f 2025-08-31T10:08:05,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts 2025-08-31T10:08:05,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts 2025-08-31T10:08:05,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2 2025-08-31T10:08:05,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2 2025-08-31T10:08:05,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11 2025-08-31T10:08:05,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11 2025-08-31T10:08:05,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03 2025-08-31T10:08:05,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03 2025-08-31T10:08:05,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20 2025-08-31T10:08:05,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20 2025-08-31T10:08:05,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17 2025-08-31T10:08:05,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17 2025-08-31T10:08:05,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15 2025-08-31T10:08:05,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15 2025-08-31T10:08:05,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3 2025-08-31T10:08:05,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3 2025-08-31T10:08:05,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts 2025-08-31T10:08:05,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts 2025-08-31T10:08:05,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts 2025-08-31T10:08:05,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts 2025-08-31T10:08:05,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8 2025-08-31T10:08:05,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8 2025-08-31T10:08:05,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4 2025-08-31T10:08:05,760 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4 2025-08-31T10:08:05,762 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1 2025-08-31T10:08:05,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1 2025-08-31T10:08:05,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts 2025-08-31T10:08:05,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts 2025-08-31T10:08:05,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01 2025-08-31T10:08:05,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01 2025-08-31T10:08:05,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2 2025-08-31T10:08:05,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2 2025-08-31T10:08:05,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl- 2025-08-31T10:08:05,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl- 2025-08-31T10:08:05,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05 2025-08-31T10:08:05,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05 2025-08-31T10:08:05,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H 2025-08-31T10:08:05,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H 2025-08-31T10:08:05,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19 2025-08-31T10:08:05,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19 2025-08-31T10:08:05,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh 2025-08-31T10:08:05,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh 2025-08-31T10:08:05,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2 2025-08-31T10:08:05,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2 2025-08-31T10:08:05,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3 2025-08-31T10:08:05,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3 2025-08-31T10:08:05,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6 2025-08-31T10:08:05,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6 2025-08-31T10:08:05,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co 2025-08-31T10:08:05,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co 2025-08-31T10:08:05,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS 2025-08-31T10:08:05,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS 2025-08-31T10:08:05,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04 2025-08-31T10:08:05,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04 2025-08-31T10:08:05,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts 2025-08-31T10:08:05,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts 2025-08-31T10:08:05,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl 2025-08-31T10:08:05,818 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl 2025-08-31T10:08:05,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH 2025-08-31T10:08:05,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH 2025-08-31T10:08:05,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14 2025-08-31T10:08:05,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14 2025-08-31T10:08:05,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10 2025-08-31T10:08:05,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10 2025-08-31T10:08:05,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2 2025-08-31T10:08:05,831 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2 2025-08-31T10:08:05,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h 2025-08-31T10:08:05,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h 2025-08-31T10:08:05,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02 2025-08-31T10:08:05,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02 2025-08-31T10:08:05,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts 2025-08-31T10:08:05,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts 2025-08-31T10:08:05,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts 2025-08-31T10:08:05,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts 2025-08-31T10:08:05,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o 2025-08-31T10:08:05,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o 2025-08-31T10:08:05,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16 2025-08-31T10:08:05,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16 2025-08-31T10:08:05,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots 2025-08-31T10:08:05,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots 2025-08-31T10:08:05,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp 2025-08-31T10:08:05,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp 2025-08-31T10:08:05,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts 2025-08-31T10:08:05,862 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts 2025-08-31T10:08:05,864 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09 2025-08-31T10:08:05,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09 2025-08-31T10:08:05,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts 2025-08-31T10:08:05,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts 2025-08-31T10:08:05,871 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn 2025-08-31T10:08:05,872 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn 2025-08-31T10:08:05,874 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2 2025-08-31T10:08:05,875 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2 2025-08-31T10:08:05,877 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f 2025-08-31T10:08:05,878 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f 2025-08-31T10:08:05,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5 2025-08-31T10:08:05,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5 2025-08-31T10:08:05,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts 2025-08-31T10:08:05,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts 2025-08-31T10:08:05,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl 2025-08-31T10:08:05,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl 2025-08-31T10:08:05,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3 2025-08-31T10:08:05,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3 2025-08-31T10:08:05,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18 2025-08-31T10:08:05,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18 2025-08-31T10:08:05,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl 2025-08-31T10:08:05,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl 2025-08-31T10:08:05,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O 2025-08-31T10:08:05,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O 2025-08-31T10:08:05,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2 2025-08-31T10:08:05,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2 2025-08-31T10:08:05,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4 2025-08-31T10:08:05,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4 2025-08-31T10:08:05,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12 2025-08-31T10:08:05,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12 2025-08-31T10:08:05,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3 2025-08-31T10:08:05,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3 2025-08-31T10:08:05,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3 2025-08-31T10:08:05,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3 2025-08-31T10:08:05,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13 2025-08-31T10:08:05,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13 2025-08-31T10:08:05,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10 2025-08-31T10:08:05,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10 2025-08-31T10:08:05,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6 2025-08-31T10:08:05,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6 2025-08-31T10:08:05,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14 2025-08-31T10:08:05,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14 2025-08-31T10:08:05,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2 2025-08-31T10:08:05,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2 2025-08-31T10:08:05,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7 2025-08-31T10:08:05,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7 2025-08-31T10:08:05,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5 2025-08-31T10:08:05,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5 2025-08-31T10:08:05,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2 2025-08-31T10:08:05,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2 2025-08-31T10:08:05,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11 2025-08-31T10:08:05,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11 2025-08-31T10:08:05,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1 2025-08-31T10:08:05,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1 2025-08-31T10:08:05,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8 2025-08-31T10:08:05,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8 2025-08-31T10:08:05,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4 2025-08-31T10:08:05,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4 2025-08-31T10:08:05,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1 2025-08-31T10:08:05,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1 2025-08-31T10:08:05,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15 2025-08-31T10:08:05,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15 2025-08-31T10:08:05,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9 2025-08-31T10:08:05,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9 2025-08-31T10:08:05,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene 2025-08-31T10:08:05,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene 2025-08-31T10:08:05,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r 2025-08-31T10:08:05,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r 2025-08-31T10:08:05,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2 2025-08-31T10:08:05,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2 2025-08-31T10:08:05,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7 2025-08-31T10:08:05,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7 2025-08-31T10:08:05,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts 2025-08-31T10:08:05,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts 2025-08-31T10:08:05,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a 2025-08-31T10:08:05,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a 2025-08-31T10:08:06,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts 2025-08-31T10:08:06,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts 2025-08-31T10:08:06,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7 2025-08-31T10:08:06,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7 2025-08-31T10:08:06,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane 2025-08-31T10:08:06,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane 2025-08-31T10:08:06,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5 2025-08-31T10:08:06,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5 2025-08-31T10:08:06,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene 2025-08-31T10:08:06,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene 2025-08-31T10:08:06,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3 2025-08-31T10:08:06,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3 2025-08-31T10:08:06,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11 2025-08-31T10:08:06,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11 2025-08-31T10:08:06,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a 2025-08-31T10:08:06,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a 2025-08-31T10:08:06,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a 2025-08-31T10:08:06,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a 2025-08-31T10:08:06,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5 2025-08-31T10:08:06,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5 2025-08-31T10:08:06,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r 2025-08-31T10:08:06,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r 2025-08-31T10:08:06,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r 2025-08-31T10:08:06,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r 2025-08-31T10:08:06,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6 2025-08-31T10:08:06,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6 2025-08-31T10:08:06,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2025-08-31T10:08:06,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2025-08-31T10:08:06,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1 2025-08-31T10:08:06,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1 2025-08-31T10:08:06,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10 2025-08-31T10:08:06,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10 2025-08-31T10:08:06,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9 2025-08-31T10:08:06,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9 2025-08-31T10:08:06,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene 2025-08-31T10:08:06,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene 2025-08-31T10:08:06,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a 2025-08-31T10:08:06,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a 2025-08-31T10:08:06,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a 2025-08-31T10:08:06,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a 2025-08-31T10:08:06,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts 2025-08-31T10:08:06,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts 2025-08-31T10:08:06,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2025-08-31T10:08:06,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2025-08-31T10:08:06,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6 2025-08-31T10:08:06,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6 2025-08-31T10:08:06,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene 2025-08-31T10:08:06,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene 2025-08-31T10:08:06,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2025-08-31T10:08:06,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2025-08-31T10:08:06,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2025-08-31T10:08:06,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2025-08-31T10:08:06,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a 2025-08-31T10:08:06,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a 2025-08-31T10:08:06,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2025-08-31T10:08:06,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2025-08-31T10:08:06,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4 2025-08-31T10:08:06,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4 2025-08-31T10:08:06,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a 2025-08-31T10:08:06,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a 2025-08-31T10:08:06,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene 2025-08-31T10:08:06,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene 2025-08-31T10:08:06,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1 2025-08-31T10:08:06,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1 2025-08-31T10:08:06,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r 2025-08-31T10:08:06,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r 2025-08-31T10:08:06,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8 2025-08-31T10:08:06,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8 2025-08-31T10:08:06,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts 2025-08-31T10:08:06,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts 2025-08-31T10:08:06,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts 2025-08-31T10:08:06,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts 2025-08-31T10:08:06,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r 2025-08-31T10:08:06,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r 2025-08-31T10:08:06,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r 2025-08-31T10:08:06,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r 2025-08-31T10:08:06,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts 2025-08-31T10:08:06,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts 2025-08-31T10:08:06,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4 2025-08-31T10:08:06,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4 2025-08-31T10:08:06,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9 2025-08-31T10:08:06,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9 2025-08-31T10:08:06,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3 2025-08-31T10:08:06,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3 2025-08-31T10:08:06,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r 2025-08-31T10:08:06,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r 2025-08-31T10:08:06,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts 2025-08-31T10:08:06,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts 2025-08-31T10:08:06,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene 2025-08-31T10:08:06,163 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene 2025-08-31T10:08:06,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene 2025-08-31T10:08:06,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene 2025-08-31T10:08:06,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts 2025-08-31T10:08:06,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts 2025-08-31T10:08:06,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8 2025-08-31T10:08:06,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8 2025-08-31T10:08:06,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a 2025-08-31T10:08:06,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a 2025-08-31T10:08:06,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4 2025-08-31T10:08:06,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4 2025-08-31T10:08:06,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2 2025-08-31T10:08:06,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2 2025-08-31T10:08:06,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts 2025-08-31T10:08:06,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts 2025-08-31T10:08:06,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene 2025-08-31T10:08:06,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene 2025-08-31T10:08:06,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a 2025-08-31T10:08:06,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a 2025-08-31T10:08:06,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r 2025-08-31T10:08:06,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r 2025-08-31T10:08:06,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f- 2025-08-31T10:08:06,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f- 2025-08-31T10:08:06,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S 2025-08-31T10:08:06,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S 2025-08-31T10:08:06,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08 2025-08-31T10:08:06,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08 2025-08-31T10:08:06,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts 2025-08-31T10:08:06,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts 2025-08-31T10:08:06,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh 2025-08-31T10:08:06,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh 2025-08-31T10:08:06,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc 2025-08-31T10:08:06,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc 2025-08-31T10:08:06,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7 2025-08-31T10:08:06,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7 2025-08-31T10:08:06,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06 2025-08-31T10:08:06,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06 2025-08-31T10:08:06,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O 2025-08-31T10:08:06,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O 2025-08-31T10:08:06,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07 2025-08-31T10:08:06,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07 2025-08-31T10:08:06,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts 2025-08-31T10:08:06,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts 2025-08-31T10:08:06,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21 2025-08-31T10:08:06,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21 2025-08-31T10:08:06,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf 2025-08-31T10:08:06,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf 2025-08-31T10:08:06,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts 2025-08-31T10:08:06,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts 2025-08-31T10:08:06,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22 2025-08-31T10:08:06,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22 2025-08-31T10:08:06,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13 2025-08-31T10:08:06,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13 2025-08-31T10:08:06,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts 2025-08-31T10:08:06,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts 2025-08-31T10:08:06,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5 2025-08-31T10:08:06,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5 2025-08-31T10:08:06,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1 2025-08-31T10:08:06,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1 2025-08-31T10:08:06,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2 2025-08-31T10:08:06,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2 2025-08-31T10:08:06,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12 2025-08-31T10:08:06,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12 2025-08-31T10:08:06,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh- 2025-08-31T10:08:06,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh- 2025-08-31T10:08:06,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco 2025-08-31T10:08:06,300 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco 2025-08-31T10:08:06,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf 2025-08-31T10:08:06,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf 2025-08-31T10:08:06,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2 2025-08-31T10:08:06,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2 2025-08-31T10:08:06,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4 2025-08-31T10:08:06,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4 2025-08-31T10:08:06,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts 2025-08-31T10:08:06,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts 2025-08-31T10:08:06,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2 2025-08-31T10:08:06,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2 2025-08-31T10:08:06,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp 2025-08-31T10:08:06,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp 2025-08-31T10:08:06,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH 2025-08-31T10:08:06,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH 2025-08-31T10:08:06,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f 2025-08-31T10:08:06,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f 2025-08-31T10:08:06,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts 2025-08-31T10:08:06,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts 2025-08-31T10:08:06,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2 2025-08-31T10:08:06,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2 2025-08-31T10:08:06,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11 2025-08-31T10:08:06,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11 2025-08-31T10:08:06,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03 2025-08-31T10:08:06,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03 2025-08-31T10:08:06,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20 2025-08-31T10:08:06,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20 2025-08-31T10:08:06,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17 2025-08-31T10:08:06,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17 2025-08-31T10:08:06,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15 2025-08-31T10:08:06,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15 2025-08-31T10:08:06,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3 2025-08-31T10:08:06,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3 2025-08-31T10:08:06,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts 2025-08-31T10:08:06,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts 2025-08-31T10:08:06,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts 2025-08-31T10:08:06,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts 2025-08-31T10:08:06,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8 2025-08-31T10:08:06,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8 2025-08-31T10:08:06,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4 2025-08-31T10:08:06,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4 2025-08-31T10:08:06,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1 2025-08-31T10:08:06,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1 2025-08-31T10:08:06,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts 2025-08-31T10:08:06,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts 2025-08-31T10:08:06,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01 2025-08-31T10:08:06,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01 2025-08-31T10:08:06,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2 2025-08-31T10:08:06,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2 2025-08-31T10:08:06,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl- 2025-08-31T10:08:06,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl- 2025-08-31T10:08:06,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05 2025-08-31T10:08:06,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05 2025-08-31T10:08:06,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H 2025-08-31T10:08:06,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H 2025-08-31T10:08:06,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19 2025-08-31T10:08:06,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19 2025-08-31T10:08:06,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh 2025-08-31T10:08:06,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh 2025-08-31T10:08:06,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2 2025-08-31T10:08:06,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2 2025-08-31T10:08:06,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3 2025-08-31T10:08:06,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3 2025-08-31T10:08:06,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6 2025-08-31T10:08:06,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6 2025-08-31T10:08:06,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co 2025-08-31T10:08:06,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co 2025-08-31T10:08:06,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS 2025-08-31T10:08:06,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS 2025-08-31T10:08:06,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04 2025-08-31T10:08:06,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04 2025-08-31T10:08:06,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts 2025-08-31T10:08:06,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts 2025-08-31T10:08:06,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl 2025-08-31T10:08:06,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl 2025-08-31T10:08:06,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH 2025-08-31T10:08:06,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH 2025-08-31T10:08:06,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14 2025-08-31T10:08:06,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14 2025-08-31T10:08:06,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10 2025-08-31T10:08:06,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10 2025-08-31T10:08:06,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2 2025-08-31T10:08:06,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2 2025-08-31T10:08:06,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h 2025-08-31T10:08:06,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h 2025-08-31T10:08:06,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02 2025-08-31T10:08:06,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02 2025-08-31T10:08:06,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts 2025-08-31T10:08:06,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts 2025-08-31T10:08:06,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts 2025-08-31T10:08:06,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts 2025-08-31T10:08:06,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o 2025-08-31T10:08:06,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o 2025-08-31T10:08:06,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16 2025-08-31T10:08:06,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16 2025-08-31T10:08:06,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots 2025-08-31T10:08:06,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots 2025-08-31T10:08:06,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp 2025-08-31T10:08:06,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp 2025-08-31T10:08:06,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts 2025-08-31T10:08:06,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts 2025-08-31T10:08:06,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09 2025-08-31T10:08:06,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09 2025-08-31T10:08:06,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts 2025-08-31T10:08:06,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts 2025-08-31T10:08:06,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn 2025-08-31T10:08:06,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn 2025-08-31T10:08:06,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2 2025-08-31T10:08:06,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2 2025-08-31T10:08:06,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f 2025-08-31T10:08:06,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f 2025-08-31T10:08:06,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5 2025-08-31T10:08:06,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5 2025-08-31T10:08:06,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts 2025-08-31T10:08:06,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts 2025-08-31T10:08:06,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl 2025-08-31T10:08:06,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl 2025-08-31T10:08:06,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3 2025-08-31T10:08:06,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3 2025-08-31T10:08:06,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18 2025-08-31T10:08:06,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18 2025-08-31T10:08:06,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl 2025-08-31T10:08:06,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl 2025-08-31T10:08:06,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O 2025-08-31T10:08:06,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O 2025-08-31T10:08:06,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2 2025-08-31T10:08:06,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2 2025-08-31T10:08:06,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab 2025-08-31T10:08:06,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab 2025-08-31T10:08:06,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII 2025-08-31T10:08:06,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII 2025-08-31T10:08:06,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444 2025-08-31T10:08:06,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444 2025-08-31T10:08:06,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII 2025-08-31T10:08:06,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII 2025-08-31T10:08:06,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691 2025-08-31T10:08:06,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691 2025-08-31T10:08:06,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114 2025-08-31T10:08:06,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114 2025-08-31T10:08:06,577 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR 2025-08-31T10:08:06,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR 2025-08-31T10:08:06,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b 2025-08-31T10:08:06,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b 2025-08-31T10:08:06,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470 2025-08-31T10:08:06,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470 2025-08-31T10:08:06,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412 2025-08-31T10:08:06,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412 2025-08-31T10:08:06,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR 2025-08-31T10:08:06,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR 2025-08-31T10:08:06,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99 2025-08-31T10:08:06,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99 2025-08-31T10:08:06,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357 2025-08-31T10:08:06,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357 2025-08-31T10:08:06,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300 2025-08-31T10:08:06,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300 2025-08-31T10:08:06,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366 2025-08-31T10:08:06,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366 2025-08-31T10:08:06,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215 2025-08-31T10:08:06,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215 2025-08-31T10:08:06,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b 2025-08-31T10:08:06,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b 2025-08-31T10:08:06,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL 2025-08-31T10:08:06,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL 2025-08-31T10:08:06,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224 2025-08-31T10:08:06,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224 2025-08-31T10:08:06,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab 2025-08-31T10:08:06,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab 2025-08-31T10:08:06,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL 2025-08-31T10:08:06,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL 2025-08-31T10:08:06,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl 2025-08-31T10:08:06,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl 2025-08-31T10:08:06,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI 2025-08-31T10:08:06,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI 2025-08-31T10:08:06,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA 2025-08-31T10:08:06,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA 2025-08-31T10:08:06,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA 2025-08-31T10:08:06,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA 2025-08-31T10:08:06,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA 2025-08-31T10:08:06,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA 2025-08-31T10:08:06,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2 2025-08-31T10:08:06,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2 2025-08-31T10:08:06,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr 2025-08-31T10:08:06,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr 2025-08-31T10:08:06,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS 2025-08-31T10:08:06,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS 2025-08-31T10:08:06,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI 2025-08-31T10:08:06,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI 2025-08-31T10:08:06,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB 2025-08-31T10:08:06,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB 2025-08-31T10:08:06,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B 2025-08-31T10:08:06,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B 2025-08-31T10:08:06,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB 2025-08-31T10:08:06,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB 2025-08-31T10:08:06,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA 2025-08-31T10:08:06,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA 2025-08-31T10:08:06,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB 2025-08-31T10:08:06,691 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB 2025-08-31T10:08:06,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA 2025-08-31T10:08:06,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA 2025-08-31T10:08:06,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB 2025-08-31T10:08:06,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB 2025-08-31T10:08:06,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3 2025-08-31T10:08:06,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3 2025-08-31T10:08:06,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB 2025-08-31T10:08:06,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB 2025-08-31T10:08:06,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB 2025-08-31T10:08:06,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB 2025-08-31T10:08:06,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB 2025-08-31T10:08:06,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB 2025-08-31T10:08:06,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH 2025-08-31T10:08:06,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH 2025-08-31T10:08:06,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe 2025-08-31T10:08:06,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe 2025-08-31T10:08:06,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH 2025-08-31T10:08:06,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH 2025-08-31T10:08:06,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA 2025-08-31T10:08:06,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA 2025-08-31T10:08:06,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr 2025-08-31T10:08:06,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr 2025-08-31T10:08:06,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr 2025-08-31T10:08:06,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr 2025-08-31T10:08:06,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A 2025-08-31T10:08:06,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A 2025-08-31T10:08:06,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr 2025-08-31T10:08:06,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr 2025-08-31T10:08:06,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2 2025-08-31T10:08:06,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2 2025-08-31T10:08:06,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B 2025-08-31T10:08:06,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B 2025-08-31T10:08:06,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3 2025-08-31T10:08:06,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3 2025-08-31T10:08:06,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH 2025-08-31T10:08:06,763 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH 2025-08-31T10:08:06,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS 2025-08-31T10:08:06,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS 2025-08-31T10:08:06,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl 2025-08-31T10:08:06,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl 2025-08-31T10:08:06,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB 2025-08-31T10:08:06,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB 2025-08-31T10:08:06,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH 2025-08-31T10:08:06,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH 2025-08-31T10:08:06,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3 2025-08-31T10:08:06,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3 2025-08-31T10:08:06,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe 2025-08-31T10:08:06,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe 2025-08-31T10:08:06,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr 2025-08-31T10:08:06,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr 2025-08-31T10:08:06,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A 2025-08-31T10:08:06,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A 2025-08-31T10:08:06,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr 2025-08-31T10:08:06,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr 2025-08-31T10:08:06,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB 2025-08-31T10:08:06,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB 2025-08-31T10:08:06,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI 2025-08-31T10:08:06,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI 2025-08-31T10:08:06,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB 2025-08-31T10:08:06,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB 2025-08-31T10:08:06,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB 2025-08-31T10:08:06,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB 2025-08-31T10:08:06,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI 2025-08-31T10:08:06,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI 2025-08-31T10:08:06,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH 2025-08-31T10:08:06,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH 2025-08-31T10:08:06,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA 2025-08-31T10:08:06,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA 2025-08-31T10:08:06,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB 2025-08-31T10:08:06,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB 2025-08-31T10:08:06,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH 2025-08-31T10:08:06,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH 2025-08-31T10:08:06,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB 2025-08-31T10:08:06,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB 2025-08-31T10:08:06,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS 2025-08-31T10:08:06,831 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS 2025-08-31T10:08:06,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3 2025-08-31T10:08:06,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3 2025-08-31T10:08:06,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI 2025-08-31T10:08:06,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI 2025-08-31T10:08:06,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA 2025-08-31T10:08:06,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA 2025-08-31T10:08:06,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH 2025-08-31T10:08:06,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH 2025-08-31T10:08:06,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA 2025-08-31T10:08:06,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA 2025-08-31T10:08:06,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS 2025-08-31T10:08:06,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS 2025-08-31T10:08:06,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe 2025-08-31T10:08:06,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe 2025-08-31T10:08:06,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB 2025-08-31T10:08:06,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB 2025-08-31T10:08:06,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB 2025-08-31T10:08:06,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB 2025-08-31T10:08:06,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB 2025-08-31T10:08:06,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB 2025-08-31T10:08:06,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3 2025-08-31T10:08:06,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3 2025-08-31T10:08:06,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH 2025-08-31T10:08:06,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH 2025-08-31T10:08:06,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI 2025-08-31T10:08:06,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI 2025-08-31T10:08:06,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH 2025-08-31T10:08:06,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH 2025-08-31T10:08:06,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl 2025-08-31T10:08:06,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl 2025-08-31T10:08:06,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr 2025-08-31T10:08:06,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr 2025-08-31T10:08:06,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH 2025-08-31T10:08:06,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH 2025-08-31T10:08:06,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB 2025-08-31T10:08:06,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB 2025-08-31T10:08:06,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A 2025-08-31T10:08:06,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A 2025-08-31T10:08:06,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB 2025-08-31T10:08:06,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB 2025-08-31T10:08:06,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA 2025-08-31T10:08:06,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA 2025-08-31T10:08:06,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B 2025-08-31T10:08:06,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B 2025-08-31T10:08:06,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS 2025-08-31T10:08:06,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS 2025-08-31T10:08:06,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr 2025-08-31T10:08:06,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr 2025-08-31T10:08:06,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB 2025-08-31T10:08:06,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB 2025-08-31T10:08:06,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2 2025-08-31T10:08:06,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2 2025-08-31T10:08:06,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2 2025-08-31T10:08:06,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2 2025-08-31T10:08:06,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS 2025-08-31T10:08:06,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS 2025-08-31T10:08:06,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl 2025-08-31T10:08:06,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl 2025-08-31T10:08:06,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr 2025-08-31T10:08:06,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr 2025-08-31T10:08:06,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS 2025-08-31T10:08:06,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS 2025-08-31T10:08:06,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB 2025-08-31T10:08:06,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB 2025-08-31T10:08:06,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB 2025-08-31T10:08:06,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB 2025-08-31T10:08:06,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB 2025-08-31T10:08:06,947 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB 2025-08-31T10:08:06,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3 2025-08-31T10:08:06,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3 2025-08-31T10:08:06,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr 2025-08-31T10:08:06,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr 2025-08-31T10:08:06,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI 2025-08-31T10:08:06,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI 2025-08-31T10:08:06,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB 2025-08-31T10:08:06,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB 2025-08-31T10:08:06,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe 2025-08-31T10:08:06,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe 2025-08-31T10:08:06,973 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3 2025-08-31T10:08:06,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3 2025-08-31T10:08:06,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI 2025-08-31T10:08:06,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI 2025-08-31T10:08:06,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS 2025-08-31T10:08:06,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS 2025-08-31T10:08:06,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA 2025-08-31T10:08:06,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA 2025-08-31T10:08:06,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI 2025-08-31T10:08:06,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI 2025-08-31T10:08:06,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI 2025-08-31T10:08:06,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI 2025-08-31T10:08:06,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB 2025-08-31T10:08:06,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB 2025-08-31T10:08:06,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3 2025-08-31T10:08:06,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3 2025-08-31T10:08:07,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr 2025-08-31T10:08:07,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr 2025-08-31T10:08:07,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr 2025-08-31T10:08:07,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr 2025-08-31T10:08:07,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB 2025-08-31T10:08:07,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB 2025-08-31T10:08:07,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr 2025-08-31T10:08:07,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr 2025-08-31T10:08:07,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH 2025-08-31T10:08:07,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH 2025-08-31T10:08:07,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH 2025-08-31T10:08:07,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH 2025-08-31T10:08:07,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G 2025-08-31T10:08:07,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G 2025-08-31T10:08:07,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp 2025-08-31T10:08:07,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp 2025-08-31T10:08:07,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp 2025-08-31T10:08:07,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp 2025-08-31T10:08:07,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp 2025-08-31T10:08:07,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp 2025-08-31T10:08:07,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol 2025-08-31T10:08:07,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol 2025-08-31T10:08:07,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6 2025-08-31T10:08:07,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6 2025-08-31T10:08:07,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp 2025-08-31T10:08:07,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp 2025-08-31T10:08:07,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A 2025-08-31T10:08:07,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A 2025-08-31T10:08:07,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp 2025-08-31T10:08:07,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp 2025-08-31T10:08:07,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol 2025-08-31T10:08:07,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol 2025-08-31T10:08:07,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o 2025-08-31T10:08:07,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o 2025-08-31T10:08:07,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp 2025-08-31T10:08:07,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp 2025-08-31T10:08:07,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh 2025-08-31T10:08:07,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh 2025-08-31T10:08:07,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p 2025-08-31T10:08:07,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p 2025-08-31T10:08:07,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3 2025-08-31T10:08:07,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3 2025-08-31T10:08:07,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p 2025-08-31T10:08:07,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p 2025-08-31T10:08:07,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p 2025-08-31T10:08:07,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p 2025-08-31T10:08:07,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4 2025-08-31T10:08:07,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4 2025-08-31T10:08:07,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap 2025-08-31T10:08:07,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap 2025-08-31T10:08:07,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4 2025-08-31T10:08:07,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4 2025-08-31T10:08:07,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2 2025-08-31T10:08:07,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2 2025-08-31T10:08:07,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8 2025-08-31T10:08:07,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8 2025-08-31T10:08:07,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p 2025-08-31T10:08:07,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p 2025-08-31T10:08:07,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3 2025-08-31T10:08:07,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3 2025-08-31T10:08:07,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6 2025-08-31T10:08:07,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6 2025-08-31T10:08:07,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p 2025-08-31T10:08:07,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p 2025-08-31T10:08:07,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly 2025-08-31T10:08:07,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly 2025-08-31T10:08:07,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p 2025-08-31T10:08:07,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p 2025-08-31T10:08:07,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp 2025-08-31T10:08:07,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp 2025-08-31T10:08:07,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p 2025-08-31T10:08:07,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p 2025-08-31T10:08:07,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p 2025-08-31T10:08:07,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p 2025-08-31T10:08:07,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass 2025-08-31T10:08:07,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass 2025-08-31T10:08:07,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s 2025-08-31T10:08:07,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s 2025-08-31T10:08:07,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol 2025-08-31T10:08:07,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol 2025-08-31T10:08:07,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T 2025-08-31T10:08:07,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T 2025-08-31T10:08:07,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp 2025-08-31T10:08:07,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp 2025-08-31T10:08:07,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys 2025-08-31T10:08:07,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys 2025-08-31T10:08:07,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op 2025-08-31T10:08:07,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op 2025-08-31T10:08:07,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp 2025-08-31T10:08:07,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp 2025-08-31T10:08:07,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp 2025-08-31T10:08:07,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp 2025-08-31T10:08:07,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp 2025-08-31T10:08:07,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp 2025-08-31T10:08:07,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2 2025-08-31T10:08:07,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2 2025-08-31T10:08:07,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p 2025-08-31T10:08:07,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p 2025-08-31T10:08:07,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C 2025-08-31T10:08:07,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C 2025-08-31T10:08:07,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp 2025-08-31T10:08:07,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp 2025-08-31T10:08:07,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p 2025-08-31T10:08:07,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p 2025-08-31T10:08:07,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s 2025-08-31T10:08:07,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s 2025-08-31T10:08:07,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp 2025-08-31T10:08:07,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp 2025-08-31T10:08:07,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6 2025-08-31T10:08:07,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6 2025-08-31T10:08:07,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p 2025-08-31T10:08:07,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p 2025-08-31T10:08:07,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl 2025-08-31T10:08:07,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl 2025-08-31T10:08:07,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2 2025-08-31T10:08:07,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2 2025-08-31T10:08:07,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B 2025-08-31T10:08:07,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B 2025-08-31T10:08:07,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02 2025-08-31T10:08:07,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02 2025-08-31T10:08:07,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B 2025-08-31T10:08:07,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B 2025-08-31T10:08:07,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A 2025-08-31T10:08:07,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A 2025-08-31T10:08:07,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54 2025-08-31T10:08:07,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54 2025-08-31T10:08:07,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B 2025-08-31T10:08:07,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B 2025-08-31T10:08:07,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A 2025-08-31T10:08:07,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A 2025-08-31T10:08:07,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B 2025-08-31T10:08:07,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B 2025-08-31T10:08:07,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A 2025-08-31T10:08:07,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A 2025-08-31T10:08:07,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A 2025-08-31T10:08:07,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A 2025-08-31T10:08:07,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23 2025-08-31T10:08:07,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23 2025-08-31T10:08:07,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A 2025-08-31T10:08:07,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A 2025-08-31T10:08:07,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08 2025-08-31T10:08:07,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08 2025-08-31T10:08:07,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A 2025-08-31T10:08:07,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A 2025-08-31T10:08:07,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B 2025-08-31T10:08:07,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B 2025-08-31T10:08:07,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B 2025-08-31T10:08:07,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B 2025-08-31T10:08:07,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B 2025-08-31T10:08:07,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B 2025-08-31T10:08:07,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B 2025-08-31T10:08:07,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B 2025-08-31T10:08:07,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A 2025-08-31T10:08:07,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A 2025-08-31T10:08:07,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A 2025-08-31T10:08:07,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A 2025-08-31T10:08:07,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A 2025-08-31T10:08:07,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A 2025-08-31T10:08:07,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B 2025-08-31T10:08:07,263 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B 2025-08-31T10:08:07,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30 2025-08-31T10:08:07,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30 2025-08-31T10:08:07,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64 2025-08-31T10:08:07,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64 2025-08-31T10:08:07,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57 2025-08-31T10:08:07,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57 2025-08-31T10:08:07,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B 2025-08-31T10:08:07,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B 2025-08-31T10:08:07,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A 2025-08-31T10:08:07,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A 2025-08-31T10:08:07,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A 2025-08-31T10:08:07,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A 2025-08-31T10:08:07,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A 2025-08-31T10:08:07,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A 2025-08-31T10:08:07,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B 2025-08-31T10:08:07,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B 2025-08-31T10:08:07,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B 2025-08-31T10:08:07,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B 2025-08-31T10:08:07,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56 2025-08-31T10:08:07,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56 2025-08-31T10:08:07,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B 2025-08-31T10:08:07,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B 2025-08-31T10:08:07,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B 2025-08-31T10:08:07,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B 2025-08-31T10:08:07,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B 2025-08-31T10:08:07,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B 2025-08-31T10:08:07,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60 2025-08-31T10:08:07,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60 2025-08-31T10:08:07,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B 2025-08-31T10:08:07,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B 2025-08-31T10:08:07,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61 2025-08-31T10:08:07,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61 2025-08-31T10:08:07,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29 2025-08-31T10:08:07,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29 2025-08-31T10:08:07,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06 2025-08-31T10:08:07,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06 2025-08-31T10:08:07,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A 2025-08-31T10:08:07,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A 2025-08-31T10:08:07,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A 2025-08-31T10:08:07,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A 2025-08-31T10:08:07,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42 2025-08-31T10:08:07,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42 2025-08-31T10:08:07,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B 2025-08-31T10:08:07,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B 2025-08-31T10:08:07,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A 2025-08-31T10:08:07,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A 2025-08-31T10:08:07,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10 2025-08-31T10:08:07,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10 2025-08-31T10:08:07,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A 2025-08-31T10:08:07,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A 2025-08-31T10:08:07,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34 2025-08-31T10:08:07,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34 2025-08-31T10:08:07,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A 2025-08-31T10:08:07,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A 2025-08-31T10:08:07,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A 2025-08-31T10:08:07,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A 2025-08-31T10:08:07,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B 2025-08-31T10:08:07,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B 2025-08-31T10:08:07,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A 2025-08-31T10:08:07,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A 2025-08-31T10:08:07,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A 2025-08-31T10:08:07,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A 2025-08-31T10:08:07,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22 2025-08-31T10:08:07,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22 2025-08-31T10:08:07,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A 2025-08-31T10:08:07,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A 2025-08-31T10:08:07,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18 2025-08-31T10:08:07,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18 2025-08-31T10:08:07,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16 2025-08-31T10:08:07,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16 2025-08-31T10:08:07,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B 2025-08-31T10:08:07,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B 2025-08-31T10:08:07,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A 2025-08-31T10:08:07,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A 2025-08-31T10:08:07,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52 2025-08-31T10:08:07,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52 2025-08-31T10:08:07,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04 2025-08-31T10:08:07,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04 2025-08-31T10:08:07,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59 2025-08-31T10:08:07,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59 2025-08-31T10:08:07,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37 2025-08-31T10:08:07,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37 2025-08-31T10:08:07,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B 2025-08-31T10:08:07,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B 2025-08-31T10:08:07,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B 2025-08-31T10:08:07,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B 2025-08-31T10:08:07,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40 2025-08-31T10:08:07,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40 2025-08-31T10:08:07,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B 2025-08-31T10:08:07,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B 2025-08-31T10:08:07,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09 2025-08-31T10:08:07,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09 2025-08-31T10:08:07,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B 2025-08-31T10:08:07,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B 2025-08-31T10:08:07,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A 2025-08-31T10:08:07,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A 2025-08-31T10:08:07,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28 2025-08-31T10:08:07,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28 2025-08-31T10:08:07,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36 2025-08-31T10:08:07,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36 2025-08-31T10:08:07,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A 2025-08-31T10:08:07,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A 2025-08-31T10:08:07,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47 2025-08-31T10:08:07,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47 2025-08-31T10:08:07,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A 2025-08-31T10:08:07,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A 2025-08-31T10:08:07,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A 2025-08-31T10:08:07,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A 2025-08-31T10:08:07,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B 2025-08-31T10:08:07,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B 2025-08-31T10:08:07,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B 2025-08-31T10:08:07,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B 2025-08-31T10:08:07,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A 2025-08-31T10:08:07,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A 2025-08-31T10:08:07,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B 2025-08-31T10:08:07,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B 2025-08-31T10:08:07,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B 2025-08-31T10:08:07,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B 2025-08-31T10:08:07,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21 2025-08-31T10:08:07,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21 2025-08-31T10:08:07,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A 2025-08-31T10:08:07,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A 2025-08-31T10:08:07,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65 2025-08-31T10:08:07,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65 2025-08-31T10:08:07,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66 2025-08-31T10:08:07,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66 2025-08-31T10:08:07,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B 2025-08-31T10:08:07,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B 2025-08-31T10:08:07,481 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B 2025-08-31T10:08:07,482 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B 2025-08-31T10:08:07,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13 2025-08-31T10:08:07,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13 2025-08-31T10:08:07,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B 2025-08-31T10:08:07,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B 2025-08-31T10:08:07,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B 2025-08-31T10:08:07,492 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B 2025-08-31T10:08:07,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58 2025-08-31T10:08:07,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58 2025-08-31T10:08:07,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25 2025-08-31T10:08:07,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25 2025-08-31T10:08:07,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B 2025-08-31T10:08:07,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B 2025-08-31T10:08:07,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32 2025-08-31T10:08:07,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32 2025-08-31T10:08:07,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A 2025-08-31T10:08:07,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A 2025-08-31T10:08:07,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A 2025-08-31T10:08:07,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A 2025-08-31T10:08:07,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A 2025-08-31T10:08:07,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A 2025-08-31T10:08:07,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A 2025-08-31T10:08:07,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A 2025-08-31T10:08:07,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B 2025-08-31T10:08:07,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B 2025-08-31T10:08:07,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A 2025-08-31T10:08:07,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A 2025-08-31T10:08:07,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B 2025-08-31T10:08:07,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B 2025-08-31T10:08:07,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41 2025-08-31T10:08:07,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41 2025-08-31T10:08:07,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14 2025-08-31T10:08:07,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14 2025-08-31T10:08:07,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A 2025-08-31T10:08:07,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A 2025-08-31T10:08:07,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A 2025-08-31T10:08:07,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A 2025-08-31T10:08:07,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A 2025-08-31T10:08:07,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A 2025-08-31T10:08:07,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A 2025-08-31T10:08:07,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A 2025-08-31T10:08:07,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A 2025-08-31T10:08:07,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A 2025-08-31T10:08:07,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15 2025-08-31T10:08:07,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15 2025-08-31T10:08:07,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A 2025-08-31T10:08:07,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A 2025-08-31T10:08:07,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B 2025-08-31T10:08:07,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B 2025-08-31T10:08:07,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A 2025-08-31T10:08:07,568 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A 2025-08-31T10:08:07,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38 2025-08-31T10:08:07,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38 2025-08-31T10:08:07,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24 2025-08-31T10:08:07,574 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24 2025-08-31T10:08:07,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B 2025-08-31T10:08:07,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B 2025-08-31T10:08:07,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B 2025-08-31T10:08:07,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B 2025-08-31T10:08:07,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B 2025-08-31T10:08:07,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B 2025-08-31T10:08:07,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A 2025-08-31T10:08:07,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A 2025-08-31T10:08:07,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B 2025-08-31T10:08:07,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B 2025-08-31T10:08:07,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19 2025-08-31T10:08:07,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19 2025-08-31T10:08:07,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01 2025-08-31T10:08:07,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01 2025-08-31T10:08:07,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B 2025-08-31T10:08:07,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B 2025-08-31T10:08:07,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A 2025-08-31T10:08:07,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A 2025-08-31T10:08:07,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A 2025-08-31T10:08:07,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A 2025-08-31T10:08:07,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31 2025-08-31T10:08:07,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31 2025-08-31T10:08:07,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45 2025-08-31T10:08:07,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45 2025-08-31T10:08:07,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B 2025-08-31T10:08:07,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B 2025-08-31T10:08:07,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50 2025-08-31T10:08:07,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50 2025-08-31T10:08:07,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B 2025-08-31T10:08:07,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B 2025-08-31T10:08:07,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26 2025-08-31T10:08:07,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26 2025-08-31T10:08:07,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A 2025-08-31T10:08:07,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A 2025-08-31T10:08:07,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B 2025-08-31T10:08:07,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B 2025-08-31T10:08:07,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B 2025-08-31T10:08:07,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B 2025-08-31T10:08:07,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46 2025-08-31T10:08:07,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46 2025-08-31T10:08:07,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A 2025-08-31T10:08:07,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A 2025-08-31T10:08:07,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03 2025-08-31T10:08:07,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03 2025-08-31T10:08:07,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B 2025-08-31T10:08:07,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B 2025-08-31T10:08:07,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B 2025-08-31T10:08:07,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B 2025-08-31T10:08:07,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20 2025-08-31T10:08:07,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20 2025-08-31T10:08:07,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B 2025-08-31T10:08:07,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B 2025-08-31T10:08:07,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B 2025-08-31T10:08:07,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B 2025-08-31T10:08:07,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B 2025-08-31T10:08:07,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B 2025-08-31T10:08:07,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43 2025-08-31T10:08:07,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43 2025-08-31T10:08:07,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B 2025-08-31T10:08:07,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B 2025-08-31T10:08:07,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44 2025-08-31T10:08:07,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44 2025-08-31T10:08:07,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A 2025-08-31T10:08:07,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A 2025-08-31T10:08:07,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A 2025-08-31T10:08:07,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A 2025-08-31T10:08:07,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A 2025-08-31T10:08:07,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A 2025-08-31T10:08:07,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A 2025-08-31T10:08:07,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A 2025-08-31T10:08:07,690 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A 2025-08-31T10:08:07,691 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A 2025-08-31T10:08:07,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A 2025-08-31T10:08:07,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A 2025-08-31T10:08:07,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A 2025-08-31T10:08:07,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A 2025-08-31T10:08:07,700 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B 2025-08-31T10:08:07,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B 2025-08-31T10:08:07,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B 2025-08-31T10:08:07,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B 2025-08-31T10:08:07,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A 2025-08-31T10:08:07,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A 2025-08-31T10:08:07,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B 2025-08-31T10:08:07,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B 2025-08-31T10:08:07,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A 2025-08-31T10:08:07,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A 2025-08-31T10:08:07,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B 2025-08-31T10:08:07,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B 2025-08-31T10:08:07,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33 2025-08-31T10:08:07,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33 2025-08-31T10:08:07,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12 2025-08-31T10:08:07,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12 2025-08-31T10:08:07,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53 2025-08-31T10:08:07,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53 2025-08-31T10:08:07,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A 2025-08-31T10:08:07,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A 2025-08-31T10:08:07,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17 2025-08-31T10:08:07,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17 2025-08-31T10:08:07,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55 2025-08-31T10:08:07,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55 2025-08-31T10:08:07,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B 2025-08-31T10:08:07,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B 2025-08-31T10:08:07,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35 2025-08-31T10:08:07,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35 2025-08-31T10:08:07,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A 2025-08-31T10:08:07,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A 2025-08-31T10:08:07,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B 2025-08-31T10:08:07,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B 2025-08-31T10:08:07,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B 2025-08-31T10:08:07,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B 2025-08-31T10:08:07,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A 2025-08-31T10:08:07,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A 2025-08-31T10:08:07,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B 2025-08-31T10:08:07,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B 2025-08-31T10:08:07,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51 2025-08-31T10:08:07,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51 2025-08-31T10:08:07,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A 2025-08-31T10:08:07,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A 2025-08-31T10:08:07,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B 2025-08-31T10:08:07,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B 2025-08-31T10:08:07,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A 2025-08-31T10:08:07,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A 2025-08-31T10:08:07,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39 2025-08-31T10:08:07,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39 2025-08-31T10:08:07,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49 2025-08-31T10:08:07,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49 2025-08-31T10:08:07,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A 2025-08-31T10:08:07,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A 2025-08-31T10:08:07,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A 2025-08-31T10:08:07,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A 2025-08-31T10:08:07,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05 2025-08-31T10:08:07,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05 2025-08-31T10:08:07,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B 2025-08-31T10:08:07,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B 2025-08-31T10:08:07,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B 2025-08-31T10:08:07,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B 2025-08-31T10:08:07,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B 2025-08-31T10:08:07,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B 2025-08-31T10:08:07,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B 2025-08-31T10:08:07,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B 2025-08-31T10:08:07,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48 2025-08-31T10:08:07,808 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48 2025-08-31T10:08:07,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63 2025-08-31T10:08:07,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63 2025-08-31T10:08:07,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B 2025-08-31T10:08:07,815 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B 2025-08-31T10:08:07,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07 2025-08-31T10:08:07,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07 2025-08-31T10:08:07,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B 2025-08-31T10:08:07,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B 2025-08-31T10:08:07,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62 2025-08-31T10:08:07,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62 2025-08-31T10:08:07,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A 2025-08-31T10:08:07,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A 2025-08-31T10:08:07,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B 2025-08-31T10:08:07,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B 2025-08-31T10:08:07,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A 2025-08-31T10:08:07,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A 2025-08-31T10:08:07,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A 2025-08-31T10:08:07,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A 2025-08-31T10:08:07,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A 2025-08-31T10:08:07,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A 2025-08-31T10:08:07,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11 2025-08-31T10:08:07,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11 2025-08-31T10:08:07,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A 2025-08-31T10:08:07,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A 2025-08-31T10:08:07,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27 2025-08-31T10:08:07,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27 2025-08-31T10:08:07,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip 2025-08-31T10:08:07,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip 2025-08-31T10:08:07,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add 2025-08-31T10:08:07,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add 2025-08-31T10:08:07,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl 2025-08-31T10:08:07,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl 2025-08-31T10:08:07,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb 2025-08-31T10:08:07,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb 2025-08-31T10:08:07,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2 2025-08-31T10:08:07,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2 2025-08-31T10:08:07,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2 2025-08-31T10:08:07,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2 2025-08-31T10:08:07,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8 2025-08-31T10:08:07,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8 2025-08-31T10:08:07,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35 2025-08-31T10:08:07,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35 2025-08-31T10:08:07,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene 2025-08-31T10:08:07,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene 2025-08-31T10:08:07,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be 2025-08-31T10:08:07,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be 2025-08-31T10:08:07,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1 2025-08-31T10:08:07,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1 2025-08-31T10:08:07,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen 2025-08-31T10:08:07,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen 2025-08-31T10:08:07,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3 2025-08-31T10:08:07,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3 2025-08-31T10:08:07,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6 2025-08-31T10:08:07,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6 2025-08-31T10:08:07,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2 2025-08-31T10:08:07,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2 2025-08-31T10:08:07,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4 2025-08-31T10:08:07,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4 2025-08-31T10:08:07,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4 2025-08-31T10:08:07,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4 2025-08-31T10:08:07,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2 2025-08-31T10:08:07,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2 2025-08-31T10:08:07,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6 2025-08-31T10:08:07,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6 2025-08-31T10:08:07,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35 2025-08-31T10:08:07,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35 2025-08-31T10:08:07,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen 2025-08-31T10:08:07,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen 2025-08-31T10:08:07,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2 2025-08-31T10:08:07,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2 2025-08-31T10:08:07,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne 2025-08-31T10:08:07,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne 2025-08-31T10:08:07,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36 2025-08-31T10:08:07,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36 2025-08-31T10:08:07,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36 2025-08-31T10:08:07,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36 2025-08-31T10:08:07,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add 2025-08-31T10:08:07,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add 2025-08-31T10:08:07,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage 2025-08-31T10:08:07,947 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage 2025-08-31T10:08:07,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1 2025-08-31T10:08:07,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1 2025-08-31T10:08:07,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL 2025-08-31T10:08:07,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL 2025-08-31T10:08:07,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41 2025-08-31T10:08:07,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41 2025-08-31T10:08:07,959 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3 2025-08-31T10:08:07,961 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3 2025-08-31T10:08:07,964 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6 2025-08-31T10:08:07,965 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6 2025-08-31T10:08:07,967 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2 2025-08-31T10:08:07,968 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2 2025-08-31T10:08:07,970 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6 2025-08-31T10:08:07,971 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6 2025-08-31T10:08:07,973 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6 2025-08-31T10:08:07,975 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6 2025-08-31T10:08:07,977 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3 2025-08-31T10:08:07,978 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3 2025-08-31T10:08:07,980 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6 2025-08-31T10:08:07,981 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6 2025-08-31T10:08:07,983 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4 2025-08-31T10:08:07,984 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4 2025-08-31T10:08:07,986 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5 2025-08-31T10:08:07,987 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5 2025-08-31T10:08:07,989 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3 2025-08-31T10:08:07,990 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3 2025-08-31T10:08:07,993 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3 2025-08-31T10:08:07,994 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3 2025-08-31T10:08:07,996 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137 2025-08-31T10:08:07,997 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137 2025-08-31T10:08:08,000 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+ 2025-08-31T10:08:08,001 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+ 2025-08-31T10:08:08,003 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+ 2025-08-31T10:08:08,004 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+ 2025-08-31T10:08:08,006 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74 2025-08-31T10:08:08,007 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74 2025-08-31T10:08:08,009 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71 2025-08-31T10:08:08,010 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71 2025-08-31T10:08:08,013 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79 2025-08-31T10:08:08,014 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79 2025-08-31T10:08:08,016 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80 2025-08-31T10:08:08,017 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80 2025-08-31T10:08:08,019 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p 2025-08-31T10:08:08,020 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p 2025-08-31T10:08:08,022 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8 2025-08-31T10:08:08,024 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8 2025-08-31T10:08:08,026 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76 2025-08-31T10:08:08,027 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76 2025-08-31T10:08:08,029 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30 2025-08-31T10:08:08,031 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30 2025-08-31T10:08:08,033 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al 2025-08-31T10:08:08,034 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al 2025-08-31T10:08:08,036 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+ 2025-08-31T10:08:08,037 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+ 2025-08-31T10:08:08,039 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c 2025-08-31T10:08:08,040 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c 2025-08-31T10:08:08,042 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be 2025-08-31T10:08:08,044 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be 2025-08-31T10:08:08,046 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+ 2025-08-31T10:08:08,047 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+ 2025-08-31T10:08:08,049 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n 2025-08-31T10:08:08,050 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n 2025-08-31T10:08:08,052 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+ 2025-08-31T10:08:08,053 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+ 2025-08-31T10:08:08,055 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64 2025-08-31T10:08:08,057 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64 2025-08-31T10:08:08,059 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34 2025-08-31T10:08:08,060 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34 2025-08-31T10:08:08,062 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s 2025-08-31T10:08:08,063 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s 2025-08-31T10:08:08,065 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+ 2025-08-31T10:08:08,066 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+ 2025-08-31T10:08:08,069 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75 2025-08-31T10:08:08,070 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75 2025-08-31T10:08:08,072 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59 2025-08-31T10:08:08,073 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59 2025-08-31T10:08:08,075 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73 2025-08-31T10:08:08,076 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73 2025-08-31T10:08:08,079 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22 2025-08-31T10:08:08,080 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22 2025-08-31T10:08:08,082 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18 2025-08-31T10:08:08,083 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18 2025-08-31T10:08:08,085 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37 2025-08-31T10:08:08,086 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37 2025-08-31T10:08:08,089 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+ 2025-08-31T10:08:08,090 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+ 2025-08-31T10:08:08,092 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72 2025-08-31T10:08:08,093 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72 2025-08-31T10:08:08,096 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67 2025-08-31T10:08:08,097 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67 2025-08-31T10:08:08,099 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68 2025-08-31T10:08:08,100 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68 2025-08-31T10:08:08,102 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+ 2025-08-31T10:08:08,103 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+ 2025-08-31T10:08:08,105 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o 2025-08-31T10:08:08,106 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o 2025-08-31T10:08:08,108 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13 2025-08-31T10:08:08,109 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13 2025-08-31T10:08:08,112 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25 2025-08-31T10:08:08,113 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25 2025-08-31T10:08:08,115 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77 2025-08-31T10:08:08,116 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77 2025-08-31T10:08:08,119 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14 2025-08-31T10:08:08,121 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14 2025-08-31T10:08:08,124 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg 2025-08-31T10:08:08,126 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg 2025-08-31T10:08:08,128 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19 2025-08-31T10:08:08,129 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19 2025-08-31T10:08:08,131 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+ 2025-08-31T10:08:08,132 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+ 2025-08-31T10:08:08,135 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60 2025-08-31T10:08:08,136 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60 2025-08-31T10:08:08,138 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+ 2025-08-31T10:08:08,139 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+ 2025-08-31T10:08:08,141 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45 2025-08-31T10:08:08,142 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45 2025-08-31T10:08:08,144 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26 2025-08-31T10:08:08,145 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26 2025-08-31T10:08:08,148 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl 2025-08-31T10:08:08,149 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl 2025-08-31T10:08:08,151 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78 2025-08-31T10:08:08,152 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78 2025-08-31T10:08:08,154 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b 2025-08-31T10:08:08,156 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b 2025-08-31T10:08:08,159 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li 2025-08-31T10:08:08,160 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li 2025-08-31T10:08:08,163 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20 2025-08-31T10:08:08,164 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20 2025-08-31T10:08:08,166 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66 2025-08-31T10:08:08,167 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66 2025-08-31T10:08:08,169 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43 2025-08-31T10:08:08,170 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43 2025-08-31T10:08:08,172 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44 2025-08-31T10:08:08,173 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44 2025-08-31T10:08:08,175 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62 2025-08-31T10:08:08,177 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62 2025-08-31T10:08:08,179 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h 2025-08-31T10:08:08,180 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h 2025-08-31T10:08:08,182 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+ 2025-08-31T10:08:08,183 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+ 2025-08-31T10:08:08,185 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na 2025-08-31T10:08:08,186 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na 2025-08-31T10:08:08,188 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65 2025-08-31T10:08:08,190 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65 2025-08-31T10:08:08,192 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+ 2025-08-31T10:08:08,193 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+ 2025-08-31T10:08:08,195 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61 2025-08-31T10:08:08,196 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61 2025-08-31T10:08:08,198 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si 2025-08-31T10:08:08,199 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si 2025-08-31T10:08:08,201 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12 2025-08-31T10:08:08,203 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12 2025-08-31T10:08:08,205 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63 2025-08-31T10:08:08,206 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63 2025-08-31T10:08:08,208 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70 2025-08-31T10:08:08,209 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70 2025-08-31T10:08:08,212 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51 2025-08-31T10:08:08,213 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51 2025-08-31T10:08:08,215 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f 2025-08-31T10:08:08,217 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f 2025-08-31T10:08:08,219 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+ 2025-08-31T10:08:08,220 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+ 2025-08-31T10:08:08,222 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48 2025-08-31T10:08:08,223 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48 2025-08-31T10:08:08,225 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65 2025-08-31T10:08:08,226 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65 2025-08-31T10:08:08,228 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11 2025-08-31T10:08:08,229 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11 2025-08-31T10:08:08,231 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+ 2025-08-31T10:08:08,232 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+ 2025-08-31T10:08:08,234 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans 2025-08-31T10:08:08,236 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans 2025-08-31T10:08:08,238 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180 2025-08-31T10:08:08,239 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180 2025-08-31T10:08:08,241 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans 2025-08-31T10:08:08,242 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans 2025-08-31T10:08:08,245 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120 2025-08-31T10:08:08,246 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120 2025-08-31T10:08:08,248 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis 2025-08-31T10:08:08,249 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis 2025-08-31T10:08:08,251 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2 2025-08-31T10:08:08,253 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2 2025-08-31T10:08:08,255 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2 2025-08-31T10:08:08,256 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2 2025-08-31T10:08:08,258 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn 2025-08-31T10:08:08,259 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn 2025-08-31T10:08:08,262 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis 2025-08-31T10:08:08,263 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis 2025-08-31T10:08:08,265 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis 2025-08-31T10:08:08,266 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis 2025-08-31T10:08:08,268 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2 2025-08-31T10:08:08,269 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2 2025-08-31T10:08:08,272 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1 2025-08-31T10:08:08,273 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1 2025-08-31T10:08:08,275 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS 2025-08-31T10:08:08,276 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS 2025-08-31T10:08:08,278 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti 2025-08-31T10:08:08,279 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti 2025-08-31T10:08:08,281 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl 2025-08-31T10:08:08,282 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl 2025-08-31T10:08:08,284 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2 2025-08-31T10:08:08,285 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2 2025-08-31T10:08:08,288 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180 2025-08-31T10:08:08,289 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180 2025-08-31T10:08:08,291 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st 2025-08-31T10:08:08,292 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st 2025-08-31T10:08:08,294 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0 2025-08-31T10:08:08,296 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0 2025-08-31T10:08:08,298 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1 2025-08-31T10:08:08,299 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1 2025-08-31T10:08:08,301 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0 2025-08-31T10:08:08,303 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0 2025-08-31T10:08:08,305 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans 2025-08-31T10:08:08,306 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans 2025-08-31T10:08:08,308 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn 2025-08-31T10:08:08,309 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn 2025-08-31T10:08:08,311 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl 2025-08-31T10:08:08,312 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl 2025-08-31T10:08:08,315 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1 2025-08-31T10:08:08,316 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1 2025-08-31T10:08:08,318 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2 2025-08-31T10:08:08,319 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2 2025-08-31T10:08:08,321 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1 2025-08-31T10:08:08,322 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1 2025-08-31T10:08:08,325 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS 2025-08-31T10:08:08,326 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS 2025-08-31T10:08:08,328 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl 2025-08-31T10:08:08,329 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl 2025-08-31T10:08:08,331 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2 2025-08-31T10:08:08,332 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2 2025-08-31T10:08:08,334 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1 2025-08-31T10:08:08,335 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1 2025-08-31T10:08:08,337 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st 2025-08-31T10:08:08,338 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st 2025-08-31T10:08:08,341 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl 2025-08-31T10:08:08,342 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl 2025-08-31T10:08:08,344 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl 2025-08-31T10:08:08,345 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl 2025-08-31T10:08:08,347 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st 2025-08-31T10:08:08,348 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st 2025-08-31T10:08:08,351 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti 2025-08-31T10:08:08,352 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti 2025-08-31T10:08:08,354 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS 2025-08-31T10:08:08,356 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS 2025-08-31T10:08:08,358 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC 2025-08-31T10:08:08,359 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC 2025-08-31T10:08:08,361 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS 2025-08-31T10:08:08,363 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS 2025-08-31T10:08:08,365 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60 2025-08-31T10:08:08,366 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60 2025-08-31T10:08:08,368 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a 2025-08-31T10:08:08,370 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a 2025-08-31T10:08:08,372 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a 2025-08-31T10:08:08,373 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a 2025-08-31T10:08:08,375 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23 2025-08-31T10:08:08,377 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23 2025-08-31T10:08:08,379 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4 2025-08-31T10:08:08,380 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4 2025-08-31T10:08:08,382 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a 2025-08-31T10:08:08,383 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a 2025-08-31T10:08:08,385 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a 2025-08-31T10:08:08,386 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a 2025-08-31T10:08:08,388 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b 2025-08-31T10:08:08,389 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b 2025-08-31T10:08:08,391 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8 2025-08-31T10:08:08,392 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8 2025-08-31T10:08:08,394 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b 2025-08-31T10:08:08,396 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b 2025-08-31T10:08:08,398 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b 2025-08-31T10:08:08,399 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b 2025-08-31T10:08:08,401 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b 2025-08-31T10:08:08,402 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b 2025-08-31T10:08:08,404 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3 2025-08-31T10:08:08,405 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3 2025-08-31T10:08:08,407 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a 2025-08-31T10:08:08,408 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a 2025-08-31T10:08:08,410 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a 2025-08-31T10:08:08,411 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a 2025-08-31T10:08:08,414 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b 2025-08-31T10:08:08,415 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b 2025-08-31T10:08:08,417 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a 2025-08-31T10:08:08,418 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a 2025-08-31T10:08:08,420 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b 2025-08-31T10:08:08,421 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b 2025-08-31T10:08:08,424 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10 2025-08-31T10:08:08,425 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10 2025-08-31T10:08:08,427 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b 2025-08-31T10:08:08,428 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b 2025-08-31T10:08:08,430 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b 2025-08-31T10:08:08,431 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b 2025-08-31T10:08:08,433 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a 2025-08-31T10:08:08,435 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a 2025-08-31T10:08:08,437 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a 2025-08-31T10:08:08,438 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a 2025-08-31T10:08:08,440 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a 2025-08-31T10:08:08,441 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a 2025-08-31T10:08:08,443 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a 2025-08-31T10:08:08,444 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a 2025-08-31T10:08:08,446 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22 2025-08-31T10:08:08,447 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22 2025-08-31T10:08:08,449 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18 2025-08-31T10:08:08,450 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18 2025-08-31T10:08:08,452 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16 2025-08-31T10:08:08,453 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16 2025-08-31T10:08:08,456 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7 2025-08-31T10:08:08,457 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7 2025-08-31T10:08:08,459 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a 2025-08-31T10:08:08,460 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a 2025-08-31T10:08:08,462 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21 2025-08-31T10:08:08,463 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21 2025-08-31T10:08:08,465 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b 2025-08-31T10:08:08,466 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b 2025-08-31T10:08:08,468 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13 2025-08-31T10:08:08,469 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13 2025-08-31T10:08:08,471 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a 2025-08-31T10:08:08,473 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a 2025-08-31T10:08:08,475 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6 2025-08-31T10:08:08,476 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6 2025-08-31T10:08:08,478 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a 2025-08-31T10:08:08,479 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a 2025-08-31T10:08:08,481 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a 2025-08-31T10:08:08,482 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a 2025-08-31T10:08:08,484 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14 2025-08-31T10:08:08,485 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14 2025-08-31T10:08:08,487 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a 2025-08-31T10:08:08,489 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a 2025-08-31T10:08:08,491 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a 2025-08-31T10:08:08,492 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a 2025-08-31T10:08:08,494 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1 2025-08-31T10:08:08,495 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1 2025-08-31T10:08:08,497 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15 2025-08-31T10:08:08,498 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15 2025-08-31T10:08:08,500 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19 2025-08-31T10:08:08,501 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19 2025-08-31T10:08:08,503 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b 2025-08-31T10:08:08,504 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b 2025-08-31T10:08:08,506 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b 2025-08-31T10:08:08,507 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b 2025-08-31T10:08:08,509 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b 2025-08-31T10:08:08,510 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b 2025-08-31T10:08:08,513 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2 2025-08-31T10:08:08,514 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2 2025-08-31T10:08:08,516 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20 2025-08-31T10:08:08,517 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20 2025-08-31T10:08:08,519 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b 2025-08-31T10:08:08,520 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b 2025-08-31T10:08:08,522 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5 2025-08-31T10:08:08,523 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5 2025-08-31T10:08:08,526 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b 2025-08-31T10:08:08,527 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b 2025-08-31T10:08:08,529 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b 2025-08-31T10:08:08,530 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b 2025-08-31T10:08:08,532 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b 2025-08-31T10:08:08,533 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b 2025-08-31T10:08:08,535 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b 2025-08-31T10:08:08,536 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b 2025-08-31T10:08:08,538 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b 2025-08-31T10:08:08,540 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b 2025-08-31T10:08:08,542 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12 2025-08-31T10:08:08,543 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12 2025-08-31T10:08:08,545 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b 2025-08-31T10:08:08,546 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b 2025-08-31T10:08:08,548 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17 2025-08-31T10:08:08,550 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17 2025-08-31T10:08:08,552 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9 2025-08-31T10:08:08,553 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9 2025-08-31T10:08:08,555 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a 2025-08-31T10:08:08,556 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a 2025-08-31T10:08:08,558 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b 2025-08-31T10:08:08,559 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b 2025-08-31T10:08:08,561 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a 2025-08-31T10:08:08,562 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a 2025-08-31T10:08:08,565 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b 2025-08-31T10:08:08,566 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b 2025-08-31T10:08:08,568 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b 2025-08-31T10:08:08,569 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b 2025-08-31T10:08:08,571 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a 2025-08-31T10:08:08,572 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a 2025-08-31T10:08:08,574 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a 2025-08-31T10:08:08,575 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a 2025-08-31T10:08:08,577 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b 2025-08-31T10:08:08,578 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b 2025-08-31T10:08:08,580 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a 2025-08-31T10:08:08,582 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a 2025-08-31T10:08:08,584 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a 2025-08-31T10:08:08,585 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a 2025-08-31T10:08:08,587 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11 2025-08-31T10:08:08,588 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11 2025-08-31T10:08:08,590 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1 2025-08-31T10:08:08,592 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1 2025-08-31T10:08:08,594 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3 2025-08-31T10:08:08,595 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3 2025-08-31T10:08:08,598 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4 2025-08-31T10:08:08,599 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4 2025-08-31T10:08:08,601 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1 2025-08-31T10:08:08,602 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1 2025-08-31T10:08:08,605 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3 2025-08-31T10:08:08,606 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3 2025-08-31T10:08:08,608 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10 2025-08-31T10:08:08,609 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10 2025-08-31T10:08:08,611 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10 2025-08-31T10:08:08,612 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10 2025-08-31T10:08:08,614 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9 2025-08-31T10:08:08,615 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9 2025-08-31T10:08:08,617 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9 2025-08-31T10:08:08,618 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9 2025-08-31T10:08:08,621 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8 2025-08-31T10:08:08,622 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8 2025-08-31T10:08:08,624 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5 2025-08-31T10:08:08,625 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5 2025-08-31T10:08:08,627 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5 2025-08-31T10:08:08,628 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5 2025-08-31T10:08:08,630 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2 2025-08-31T10:08:08,631 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2 2025-08-31T10:08:08,634 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7 2025-08-31T10:08:08,635 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7 2025-08-31T10:08:08,637 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4 2025-08-31T10:08:08,638 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4 2025-08-31T10:08:08,640 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6 2025-08-31T10:08:08,641 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6 2025-08-31T10:08:08,644 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6 2025-08-31T10:08:08,645 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6 2025-08-31T10:08:08,647 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8 2025-08-31T10:08:08,648 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8 2025-08-31T10:08:08,650 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2 2025-08-31T10:08:08,651 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2 2025-08-31T10:08:08,653 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7 2025-08-31T10:08:08,655 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7 2025-08-31T10:08:08,657 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02 2025-08-31T10:08:08,658 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02 2025-08-31T10:08:08,661 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a 2025-08-31T10:08:08,662 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a 2025-08-31T10:08:08,664 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a 2025-08-31T10:08:08,665 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a 2025-08-31T10:08:08,667 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08 2025-08-31T10:08:08,668 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08 2025-08-31T10:08:08,671 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a 2025-08-31T10:08:08,672 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a 2025-08-31T10:08:08,674 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b 2025-08-31T10:08:08,675 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b 2025-08-31T10:08:08,677 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b 2025-08-31T10:08:08,678 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b 2025-08-31T10:08:08,680 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a 2025-08-31T10:08:08,681 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a 2025-08-31T10:08:08,683 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b 2025-08-31T10:08:08,685 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b 2025-08-31T10:08:08,687 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a 2025-08-31T10:08:08,688 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a 2025-08-31T10:08:08,690 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06 2025-08-31T10:08:08,691 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06 2025-08-31T10:08:08,693 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a 2025-08-31T10:08:08,694 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a 2025-08-31T10:08:08,697 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10 2025-08-31T10:08:08,698 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10 2025-08-31T10:08:08,700 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a 2025-08-31T10:08:08,701 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a 2025-08-31T10:08:08,703 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a 2025-08-31T10:08:08,705 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a 2025-08-31T10:08:08,707 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b 2025-08-31T10:08:08,708 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b 2025-08-31T10:08:08,710 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a 2025-08-31T10:08:08,711 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a 2025-08-31T10:08:08,713 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22 2025-08-31T10:08:08,714 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22 2025-08-31T10:08:08,717 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18 2025-08-31T10:08:08,718 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18 2025-08-31T10:08:08,720 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16 2025-08-31T10:08:08,721 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16 2025-08-31T10:08:08,723 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04 2025-08-31T10:08:08,724 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04 2025-08-31T10:08:08,727 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a 2025-08-31T10:08:08,728 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a 2025-08-31T10:08:08,730 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a 2025-08-31T10:08:08,731 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a 2025-08-31T10:08:08,733 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09 2025-08-31T10:08:08,734 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09 2025-08-31T10:08:08,736 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a 2025-08-31T10:08:08,737 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a 2025-08-31T10:08:08,739 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b 2025-08-31T10:08:08,740 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b 2025-08-31T10:08:08,743 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21 2025-08-31T10:08:08,744 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21 2025-08-31T10:08:08,746 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13 2025-08-31T10:08:08,747 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13 2025-08-31T10:08:08,749 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a 2025-08-31T10:08:08,750 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a 2025-08-31T10:08:08,753 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14 2025-08-31T10:08:08,754 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14 2025-08-31T10:08:08,756 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a 2025-08-31T10:08:08,757 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a 2025-08-31T10:08:08,759 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a 2025-08-31T10:08:08,760 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a 2025-08-31T10:08:08,763 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15 2025-08-31T10:08:08,764 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15 2025-08-31T10:08:08,766 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a 2025-08-31T10:08:08,767 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a 2025-08-31T10:08:08,769 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19 2025-08-31T10:08:08,770 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19 2025-08-31T10:08:08,773 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01 2025-08-31T10:08:08,774 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01 2025-08-31T10:08:08,776 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b 2025-08-31T10:08:08,777 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b 2025-08-31T10:08:08,779 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03 2025-08-31T10:08:08,780 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03 2025-08-31T10:08:08,782 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20 2025-08-31T10:08:08,784 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20 2025-08-31T10:08:08,786 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b 2025-08-31T10:08:08,787 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b 2025-08-31T10:08:08,789 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b 2025-08-31T10:08:08,790 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b 2025-08-31T10:08:08,792 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b 2025-08-31T10:08:08,794 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b 2025-08-31T10:08:08,796 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b 2025-08-31T10:08:08,797 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b 2025-08-31T10:08:08,799 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12 2025-08-31T10:08:08,800 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12 2025-08-31T10:08:08,802 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b 2025-08-31T10:08:08,803 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b 2025-08-31T10:08:08,805 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17 2025-08-31T10:08:08,806 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17 2025-08-31T10:08:08,809 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a 2025-08-31T10:08:08,810 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a 2025-08-31T10:08:08,812 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a 2025-08-31T10:08:08,814 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a 2025-08-31T10:08:08,816 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05 2025-08-31T10:08:08,817 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05 2025-08-31T10:08:08,819 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b 2025-08-31T10:08:08,820 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b 2025-08-31T10:08:08,822 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a 2025-08-31T10:08:08,823 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a 2025-08-31T10:08:08,825 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b 2025-08-31T10:08:08,826 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b 2025-08-31T10:08:08,829 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a 2025-08-31T10:08:08,830 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a 2025-08-31T10:08:08,832 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07 2025-08-31T10:08:08,833 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07 2025-08-31T10:08:08,835 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a 2025-08-31T10:08:08,836 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a 2025-08-31T10:08:08,838 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a 2025-08-31T10:08:08,840 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a 2025-08-31T10:08:08,842 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11 2025-08-31T10:08:08,843 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11 2025-08-31T10:08:08,845 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab 2025-08-31T10:08:08,847 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab 2025-08-31T10:08:08,849 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag 2025-08-31T10:08:08,850 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag 2025-08-31T10:08:08,853 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah 2025-08-31T10:08:08,854 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah 2025-08-31T10:08:08,856 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad 2025-08-31T10:08:08,857 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad 2025-08-31T10:08:08,859 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag 2025-08-31T10:08:08,860 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag 2025-08-31T10:08:08,862 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab 2025-08-31T10:08:08,864 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab 2025-08-31T10:08:08,866 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf 2025-08-31T10:08:08,867 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf 2025-08-31T10:08:08,870 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae 2025-08-31T10:08:08,871 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae 2025-08-31T10:08:08,874 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf 2025-08-31T10:08:08,875 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf 2025-08-31T10:08:08,878 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay 2025-08-31T10:08:08,879 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay 2025-08-31T10:08:08,881 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag 2025-08-31T10:08:08,882 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag 2025-08-31T10:08:08,885 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi 2025-08-31T10:08:08,886 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi 2025-08-31T10:08:08,888 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav 2025-08-31T10:08:08,889 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav 2025-08-31T10:08:08,891 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj 2025-08-31T10:08:08,892 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj 2025-08-31T10:08:08,895 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah 2025-08-31T10:08:08,896 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah 2025-08-31T10:08:08,898 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan 2025-08-31T10:08:08,899 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan 2025-08-31T10:08:08,901 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao 2025-08-31T10:08:08,903 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao 2025-08-31T10:08:08,905 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap 2025-08-31T10:08:08,907 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap 2025-08-31T10:08:08,909 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf 2025-08-31T10:08:08,910 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf 2025-08-31T10:08:08,912 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah 2025-08-31T10:08:08,913 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah 2025-08-31T10:08:08,915 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau 2025-08-31T10:08:08,916 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau 2025-08-31T10:08:08,918 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab 2025-08-31T10:08:08,919 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab 2025-08-31T10:08:08,921 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf 2025-08-31T10:08:08,922 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf 2025-08-31T10:08:08,925 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag 2025-08-31T10:08:08,926 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag 2025-08-31T10:08:08,928 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan 2025-08-31T10:08:08,929 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan 2025-08-31T10:08:08,931 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad 2025-08-31T10:08:08,932 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad 2025-08-31T10:08:08,935 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx 2025-08-31T10:08:08,936 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx 2025-08-31T10:08:08,938 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq 2025-08-31T10:08:08,939 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq 2025-08-31T10:08:08,941 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad 2025-08-31T10:08:08,942 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad 2025-08-31T10:08:08,945 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo 2025-08-31T10:08:08,946 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo 2025-08-31T10:08:08,948 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac 2025-08-31T10:08:08,949 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac 2025-08-31T10:08:08,951 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah 2025-08-31T10:08:08,953 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah 2025-08-31T10:08:08,955 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan 2025-08-31T10:08:08,956 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan 2025-08-31T10:08:08,959 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar 2025-08-31T10:08:08,960 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar 2025-08-31T10:08:08,962 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac 2025-08-31T10:08:08,963 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac 2025-08-31T10:08:08,965 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae 2025-08-31T10:08:08,966 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae 2025-08-31T10:08:08,969 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal 2025-08-31T10:08:08,970 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal 2025-08-31T10:08:08,972 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak 2025-08-31T10:08:08,973 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak 2025-08-31T10:08:08,975 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav 2025-08-31T10:08:08,976 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav 2025-08-31T10:08:08,979 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar 2025-08-31T10:08:08,980 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar 2025-08-31T10:08:08,982 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab 2025-08-31T10:08:08,983 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab 2025-08-31T10:08:08,985 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat 2025-08-31T10:08:08,986 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat 2025-08-31T10:08:08,989 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab 2025-08-31T10:08:08,990 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab 2025-08-31T10:08:08,992 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae 2025-08-31T10:08:08,993 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae 2025-08-31T10:08:08,996 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz 2025-08-31T10:08:08,997 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz 2025-08-31T10:08:08,999 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak 2025-08-31T10:08:09,000 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak 2025-08-31T10:08:09,002 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc 2025-08-31T10:08:09,004 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc 2025-08-31T10:08:09,006 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf 2025-08-31T10:08:09,007 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf 2025-08-31T10:08:09,009 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah 2025-08-31T10:08:09,010 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah 2025-08-31T10:08:09,013 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj 2025-08-31T10:08:09,014 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj 2025-08-31T10:08:09,016 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao 2025-08-31T10:08:09,017 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao 2025-08-31T10:08:09,019 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad 2025-08-31T10:08:09,020 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad 2025-08-31T10:08:09,022 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae 2025-08-31T10:08:09,023 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae 2025-08-31T10:08:09,026 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal 2025-08-31T10:08:09,027 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal 2025-08-31T10:08:09,029 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb 2025-08-31T10:08:09,030 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb 2025-08-31T10:08:09,032 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah 2025-08-31T10:08:09,033 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah 2025-08-31T10:08:09,036 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar 2025-08-31T10:08:09,038 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar 2025-08-31T10:08:09,040 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap 2025-08-31T10:08:09,041 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap 2025-08-31T10:08:09,044 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab 2025-08-31T10:08:09,045 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab 2025-08-31T10:08:09,047 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae 2025-08-31T10:08:09,048 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae 2025-08-31T10:08:09,051 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah 2025-08-31T10:08:09,052 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah 2025-08-31T10:08:09,054 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab 2025-08-31T10:08:09,055 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab 2025-08-31T10:08:09,057 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau 2025-08-31T10:08:09,058 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau 2025-08-31T10:08:09,061 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci 2025-08-31T10:08:09,062 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci 2025-08-31T10:08:09,064 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag 2025-08-31T10:08:09,065 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag 2025-08-31T10:08:09,068 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag 2025-08-31T10:08:09,069 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag 2025-08-31T10:08:09,071 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag 2025-08-31T10:08:09,072 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag 2025-08-31T10:08:09,074 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam 2025-08-31T10:08:09,075 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam 2025-08-31T10:08:09,077 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv 2025-08-31T10:08:09,078 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv 2025-08-31T10:08:09,080 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak 2025-08-31T10:08:09,081 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak 2025-08-31T10:08:09,084 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai 2025-08-31T10:08:09,085 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai 2025-08-31T10:08:09,087 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas 2025-08-31T10:08:09,088 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas 2025-08-31T10:08:09,091 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal 2025-08-31T10:08:09,092 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal 2025-08-31T10:08:09,094 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq 2025-08-31T10:08:09,095 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq 2025-08-31T10:08:09,097 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav 2025-08-31T10:08:09,098 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav 2025-08-31T10:08:09,101 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac 2025-08-31T10:08:09,102 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac 2025-08-31T10:08:09,104 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar 2025-08-31T10:08:09,105 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar 2025-08-31T10:08:09,108 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao 2025-08-31T10:08:09,109 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao 2025-08-31T10:08:09,111 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag 2025-08-31T10:08:09,112 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag 2025-08-31T10:08:09,114 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac 2025-08-31T10:08:09,115 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac 2025-08-31T10:08:09,117 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat 2025-08-31T10:08:09,119 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat 2025-08-31T10:08:09,121 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai 2025-08-31T10:08:09,122 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai 2025-08-31T10:08:09,124 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq 2025-08-31T10:08:09,125 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq 2025-08-31T10:08:09,128 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal 2025-08-31T10:08:09,129 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal 2025-08-31T10:08:09,131 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad 2025-08-31T10:08:09,132 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad 2025-08-31T10:08:09,134 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq 2025-08-31T10:08:09,135 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq 2025-08-31T10:08:09,137 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah 2025-08-31T10:08:09,138 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah 2025-08-31T10:08:09,140 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby 2025-08-31T10:08:09,141 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby 2025-08-31T10:08:09,144 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw 2025-08-31T10:08:09,145 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw 2025-08-31T10:08:09,147 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm 2025-08-31T10:08:09,148 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm 2025-08-31T10:08:09,150 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj 2025-08-31T10:08:09,151 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj 2025-08-31T10:08:09,154 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak 2025-08-31T10:08:09,155 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak 2025-08-31T10:08:09,157 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf 2025-08-31T10:08:09,158 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf 2025-08-31T10:08:09,160 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap 2025-08-31T10:08:09,161 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap 2025-08-31T10:08:09,164 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal 2025-08-31T10:08:09,165 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal 2025-08-31T10:08:09,167 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai 2025-08-31T10:08:09,168 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai 2025-08-31T10:08:09,170 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad 2025-08-31T10:08:09,171 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad 2025-08-31T10:08:09,174 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan 2025-08-31T10:08:09,175 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan 2025-08-31T10:08:09,177 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak 2025-08-31T10:08:09,178 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak 2025-08-31T10:08:09,181 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad 2025-08-31T10:08:09,182 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad 2025-08-31T10:08:09,185 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5 2025-08-31T10:08:09,187 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5 2025-08-31T10:08:09,188 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29 2025-08-31T10:08:09,189 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29 2025-08-31T10:08:09,191 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1 2025-08-31T10:08:09,192 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1 2025-08-31T10:08:09,195 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13 2025-08-31T10:08:09,196 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13 2025-08-31T10:08:09,198 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17 2025-08-31T10:08:09,199 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17 2025-08-31T10:08:09,201 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18 2025-08-31T10:08:09,202 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18 2025-08-31T10:08:09,204 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17 2025-08-31T10:08:09,205 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17 2025-08-31T10:08:09,207 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15 2025-08-31T10:08:09,208 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15 2025-08-31T10:08:09,210 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32 2025-08-31T10:08:09,212 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32 2025-08-31T10:08:09,214 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12 2025-08-31T10:08:09,215 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12 2025-08-31T10:08:09,217 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28 2025-08-31T10:08:09,218 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28 2025-08-31T10:08:09,220 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33 2025-08-31T10:08:09,221 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33 2025-08-31T10:08:09,223 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18 2025-08-31T10:08:09,224 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18 2025-08-31T10:08:09,227 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7 2025-08-31T10:08:09,228 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7 2025-08-31T10:08:09,230 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20 2025-08-31T10:08:09,231 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20 2025-08-31T10:08:09,233 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14 2025-08-31T10:08:09,235 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14 2025-08-31T10:08:09,237 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25 2025-08-31T10:08:09,238 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25 2025-08-31T10:08:09,240 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23 2025-08-31T10:08:09,241 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23 2025-08-31T10:08:09,243 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8 2025-08-31T10:08:09,244 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8 2025-08-31T10:08:09,246 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3 2025-08-31T10:08:09,247 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3 2025-08-31T10:08:09,249 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4 2025-08-31T10:08:09,250 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4 2025-08-31T10:08:09,252 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7 2025-08-31T10:08:09,253 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7 2025-08-31T10:08:09,255 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19 2025-08-31T10:08:09,257 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19 2025-08-31T10:08:09,259 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27 2025-08-31T10:08:09,260 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27 2025-08-31T10:08:09,262 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30 2025-08-31T10:08:09,263 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30 2025-08-31T10:08:09,266 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33 2025-08-31T10:08:09,267 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33 2025-08-31T10:08:09,269 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9 2025-08-31T10:08:09,270 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9 2025-08-31T10:08:09,272 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27 2025-08-31T10:08:09,274 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27 2025-08-31T10:08:09,279 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25 2025-08-31T10:08:09,282 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25 2025-08-31T10:08:09,288 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16 2025-08-31T10:08:09,290 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16 2025-08-31T10:08:09,292 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21 2025-08-31T10:08:09,293 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21 2025-08-31T10:08:09,295 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12 2025-08-31T10:08:09,296 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12 2025-08-31T10:08:09,299 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6 2025-08-31T10:08:09,300 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6 2025-08-31T10:08:09,302 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31 2025-08-31T10:08:09,303 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31 2025-08-31T10:08:09,305 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4 2025-08-31T10:08:09,306 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4 2025-08-31T10:08:09,308 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16 2025-08-31T10:08:09,309 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16 2025-08-31T10:08:09,311 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20 2025-08-31T10:08:09,312 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20 2025-08-31T10:08:09,314 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13 2025-08-31T10:08:09,315 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13 2025-08-31T10:08:09,317 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30 2025-08-31T10:08:09,318 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30 2025-08-31T10:08:09,320 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24 2025-08-31T10:08:09,321 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24 2025-08-31T10:08:09,324 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34 2025-08-31T10:08:09,325 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34 2025-08-31T10:08:09,327 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24 2025-08-31T10:08:09,328 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24 2025-08-31T10:08:09,330 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34 2025-08-31T10:08:09,331 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34 2025-08-31T10:08:09,333 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31 2025-08-31T10:08:09,334 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31 2025-08-31T10:08:09,336 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22 2025-08-31T10:08:09,337 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22 2025-08-31T10:08:09,340 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8 2025-08-31T10:08:09,341 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8 2025-08-31T10:08:09,343 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23 2025-08-31T10:08:09,344 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23 2025-08-31T10:08:09,346 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1 2025-08-31T10:08:09,348 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1 2025-08-31T10:08:09,350 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26 2025-08-31T10:08:09,351 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26 2025-08-31T10:08:09,353 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10 2025-08-31T10:08:09,355 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10 2025-08-31T10:08:09,357 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21 2025-08-31T10:08:09,358 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21 2025-08-31T10:08:09,361 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9 2025-08-31T10:08:09,362 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9 2025-08-31T10:08:09,365 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14 2025-08-31T10:08:09,366 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14 2025-08-31T10:08:09,368 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11 2025-08-31T10:08:09,369 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11 2025-08-31T10:08:09,372 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32 2025-08-31T10:08:09,373 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32 2025-08-31T10:08:09,375 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15 2025-08-31T10:08:09,377 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15 2025-08-31T10:08:09,379 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28 2025-08-31T10:08:09,381 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28 2025-08-31T10:08:09,384 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26 2025-08-31T10:08:09,385 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26 2025-08-31T10:08:09,388 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29 2025-08-31T10:08:09,389 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29 2025-08-31T10:08:09,392 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3 2025-08-31T10:08:09,393 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3 2025-08-31T10:08:09,396 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2 2025-08-31T10:08:09,397 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2 2025-08-31T10:08:09,399 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10 2025-08-31T10:08:09,401 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10 2025-08-31T10:08:09,404 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11 2025-08-31T10:08:09,405 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11 2025-08-31T10:08:09,407 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2 2025-08-31T10:08:09,410 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2 2025-08-31T10:08:09,412 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+ 2025-08-31T10:08:09,414 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+ 2025-08-31T10:08:09,417 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+ 2025-08-31T10:08:09,418 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+ 2025-08-31T10:08:09,421 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+ 2025-08-31T10:08:09,422 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+ 2025-08-31T10:08:09,425 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3 2025-08-31T10:08:09,426 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3 2025-08-31T10:08:09,429 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be 2025-08-31T10:08:09,430 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be 2025-08-31T10:08:09,433 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4 2025-08-31T10:08:09,435 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4 2025-08-31T10:08:09,437 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+ 2025-08-31T10:08:09,439 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+ 2025-08-31T10:08:09,442 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+ 2025-08-31T10:08:09,443 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+ 2025-08-31T10:08:09,446 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+ 2025-08-31T10:08:09,447 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+ 2025-08-31T10:08:09,450 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+ 2025-08-31T10:08:09,451 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+ 2025-08-31T10:08:09,454 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3 2025-08-31T10:08:09,455 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3 2025-08-31T10:08:09,458 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+ 2025-08-31T10:08:09,459 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+ 2025-08-31T10:08:09,462 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg 2025-08-31T10:08:09,463 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg 2025-08-31T10:08:09,466 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s 2025-08-31T10:08:09,467 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s 2025-08-31T10:08:09,470 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o 2025-08-31T10:08:09,472 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o 2025-08-31T10:08:09,474 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+ 2025-08-31T10:08:09,476 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+ 2025-08-31T10:08:09,478 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6 2025-08-31T10:08:09,479 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6 2025-08-31T10:08:09,481 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+ 2025-08-31T10:08:09,482 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+ 2025-08-31T10:08:09,484 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4 2025-08-31T10:08:09,486 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4 2025-08-31T10:08:09,488 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62 2025-08-31T10:08:09,489 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62 2025-08-31T10:08:09,492 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24 2025-08-31T10:08:09,493 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24 2025-08-31T10:08:09,495 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13 2025-08-31T10:08:09,496 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13 2025-08-31T10:08:09,499 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42 2025-08-31T10:08:09,500 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42 2025-08-31T10:08:09,502 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63 2025-08-31T10:08:09,503 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63 2025-08-31T10:08:09,505 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11 2025-08-31T10:08:09,506 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11 2025-08-31T10:08:09,508 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10 2025-08-31T10:08:09,509 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10 2025-08-31T10:08:09,511 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27 2025-08-31T10:08:09,512 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27 2025-08-31T10:08:09,514 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15 2025-08-31T10:08:09,515 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15 2025-08-31T10:08:09,517 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21 2025-08-31T10:08:09,519 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21 2025-08-31T10:08:09,521 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56 2025-08-31T10:08:09,522 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56 2025-08-31T10:08:09,524 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45 2025-08-31T10:08:09,525 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45 2025-08-31T10:08:09,527 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3 2025-08-31T10:08:09,528 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3 2025-08-31T10:08:09,530 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64 2025-08-31T10:08:09,531 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64 2025-08-31T10:08:09,533 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49 2025-08-31T10:08:09,535 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49 2025-08-31T10:08:09,537 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44 2025-08-31T10:08:09,538 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44 2025-08-31T10:08:09,540 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32 2025-08-31T10:08:09,541 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32 2025-08-31T10:08:09,543 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20 2025-08-31T10:08:09,544 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20 2025-08-31T10:08:09,546 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35 2025-08-31T10:08:09,548 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35 2025-08-31T10:08:09,550 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40 2025-08-31T10:08:09,551 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40 2025-08-31T10:08:09,553 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25 2025-08-31T10:08:09,555 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25 2025-08-31T10:08:09,557 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14 2025-08-31T10:08:09,558 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14 2025-08-31T10:08:09,560 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29 2025-08-31T10:08:09,561 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29 2025-08-31T10:08:09,563 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4 2025-08-31T10:08:09,564 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4 2025-08-31T10:08:09,567 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22 2025-08-31T10:08:09,568 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22 2025-08-31T10:08:09,570 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16 2025-08-31T10:08:09,571 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16 2025-08-31T10:08:09,573 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34 2025-08-31T10:08:09,574 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34 2025-08-31T10:08:09,576 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28 2025-08-31T10:08:09,577 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28 2025-08-31T10:08:09,580 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2 2025-08-31T10:08:09,581 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2 2025-08-31T10:08:09,583 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9 2025-08-31T10:08:09,584 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9 2025-08-31T10:08:09,586 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18 2025-08-31T10:08:09,587 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18 2025-08-31T10:08:09,589 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19 2025-08-31T10:08:09,590 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19 2025-08-31T10:08:09,593 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50 2025-08-31T10:08:09,594 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50 2025-08-31T10:08:09,596 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57 2025-08-31T10:08:09,597 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57 2025-08-31T10:08:09,599 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41 2025-08-31T10:08:09,600 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41 2025-08-31T10:08:09,602 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1 2025-08-31T10:08:09,604 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1 2025-08-31T10:08:09,606 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31 2025-08-31T10:08:09,607 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31 2025-08-31T10:08:09,609 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38 2025-08-31T10:08:09,610 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38 2025-08-31T10:08:09,613 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8 2025-08-31T10:08:09,614 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8 2025-08-31T10:08:09,616 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65 2025-08-31T10:08:09,617 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65 2025-08-31T10:08:09,619 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12 2025-08-31T10:08:09,620 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12 2025-08-31T10:08:09,622 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51 2025-08-31T10:08:09,623 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51 2025-08-31T10:08:09,625 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55 2025-08-31T10:08:09,626 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55 2025-08-31T10:08:09,629 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17 2025-08-31T10:08:09,630 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17 2025-08-31T10:08:09,632 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33 2025-08-31T10:08:09,633 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33 2025-08-31T10:08:09,635 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59 2025-08-31T10:08:09,637 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59 2025-08-31T10:08:09,639 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37 2025-08-31T10:08:09,640 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37 2025-08-31T10:08:09,642 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47 2025-08-31T10:08:09,643 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47 2025-08-31T10:08:09,645 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48 2025-08-31T10:08:09,646 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48 2025-08-31T10:08:09,648 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53 2025-08-31T10:08:09,650 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53 2025-08-31T10:08:09,652 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61 2025-08-31T10:08:09,653 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61 2025-08-31T10:08:09,656 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6 2025-08-31T10:08:09,657 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6 2025-08-31T10:08:09,659 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39 2025-08-31T10:08:09,660 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39 2025-08-31T10:08:09,662 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54 2025-08-31T10:08:09,663 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54 2025-08-31T10:08:09,665 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5 2025-08-31T10:08:09,667 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5 2025-08-31T10:08:09,669 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60 2025-08-31T10:08:09,670 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60 2025-08-31T10:08:09,672 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7 2025-08-31T10:08:09,673 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7 2025-08-31T10:08:09,675 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43 2025-08-31T10:08:09,676 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43 2025-08-31T10:08:09,678 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26 2025-08-31T10:08:09,679 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26 2025-08-31T10:08:09,681 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23 2025-08-31T10:08:09,682 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23 2025-08-31T10:08:09,684 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36 2025-08-31T10:08:09,685 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36 2025-08-31T10:08:09,687 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58 2025-08-31T10:08:09,688 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58 2025-08-31T10:08:09,690 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52 2025-08-31T10:08:09,691 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52 2025-08-31T10:08:09,693 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46 2025-08-31T10:08:09,694 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46 2025-08-31T10:08:09,696 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30 2025-08-31T10:08:09,698 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30 2025-08-31T10:08:09,700 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51 2025-08-31T10:08:09,701 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51 2025-08-31T10:08:09,703 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49 2025-08-31T10:08:09,705 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49 2025-08-31T10:08:09,707 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45 2025-08-31T10:08:09,708 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45 2025-08-31T10:08:09,710 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48 2025-08-31T10:08:09,711 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48 2025-08-31T10:08:09,713 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46 2025-08-31T10:08:09,714 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46 2025-08-31T10:08:09,716 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40 2025-08-31T10:08:09,718 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40 2025-08-31T10:08:09,720 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60 2025-08-31T10:08:09,721 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60 2025-08-31T10:08:09,723 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40 2025-08-31T10:08:09,724 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40 2025-08-31T10:08:09,726 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56 2025-08-31T10:08:09,727 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56 2025-08-31T10:08:09,729 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22 2025-08-31T10:08:09,730 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22 2025-08-31T10:08:09,732 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49 2025-08-31T10:08:09,733 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49 2025-08-31T10:08:09,735 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26 2025-08-31T10:08:09,736 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26 2025-08-31T10:08:09,738 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51 2025-08-31T10:08:09,739 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51 2025-08-31T10:08:09,742 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44 2025-08-31T10:08:09,743 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44 2025-08-31T10:08:09,745 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47 2025-08-31T10:08:09,746 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47 2025-08-31T10:08:09,748 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20 2025-08-31T10:08:09,749 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20 2025-08-31T10:08:09,751 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25 2025-08-31T10:08:09,752 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25 2025-08-31T10:08:09,754 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28 2025-08-31T10:08:09,755 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28 2025-08-31T10:08:09,757 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48 2025-08-31T10:08:09,758 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48 2025-08-31T10:08:09,761 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56 2025-08-31T10:08:09,762 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56 2025-08-31T10:08:09,764 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43 2025-08-31T10:08:09,765 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43 2025-08-31T10:08:09,767 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45 2025-08-31T10:08:09,768 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45 2025-08-31T10:08:09,770 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46 2025-08-31T10:08:09,771 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46 2025-08-31T10:08:09,773 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22 2025-08-31T10:08:09,775 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22 2025-08-31T10:08:09,777 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52 2025-08-31T10:08:09,778 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52 2025-08-31T10:08:09,780 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44 2025-08-31T10:08:09,781 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44 2025-08-31T10:08:09,783 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20 2025-08-31T10:08:09,784 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20 2025-08-31T10:08:09,786 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21 2025-08-31T10:08:09,787 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21 2025-08-31T10:08:09,789 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26 2025-08-31T10:08:09,790 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26 2025-08-31T10:08:09,792 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25 2025-08-31T10:08:09,793 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25 2025-08-31T10:08:09,795 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52 2025-08-31T10:08:09,796 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52 2025-08-31T10:08:09,798 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47 2025-08-31T10:08:09,799 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47 2025-08-31T10:08:09,802 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57 2025-08-31T10:08:09,803 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57 2025-08-31T10:08:09,805 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43 2025-08-31T10:08:09,806 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43 2025-08-31T10:08:09,808 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29 2025-08-31T10:08:09,809 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29 2025-08-31T10:08:09,811 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60 2025-08-31T10:08:09,812 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60 2025-08-31T10:08:09,814 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e 2025-08-31T10:08:09,816 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e 2025-08-31T10:08:09,818 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3 2025-08-31T10:08:09,819 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3 2025-08-31T10:08:09,821 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2 2025-08-31T10:08:09,822 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2 2025-08-31T10:08:09,824 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1 2025-08-31T10:08:09,826 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1 2025-08-31T10:08:09,828 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1 2025-08-31T10:08:09,829 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1 2025-08-31T10:08:09,831 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e 2025-08-31T10:08:09,832 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e 2025-08-31T10:08:09,834 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p 2025-08-31T10:08:09,835 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p 2025-08-31T10:08:09,838 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr 2025-08-31T10:08:09,839 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr 2025-08-31T10:08:09,841 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e 2025-08-31T10:08:09,842 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e 2025-08-31T10:08:09,845 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e 2025-08-31T10:08:09,846 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e 2025-08-31T10:08:09,848 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1 2025-08-31T10:08:09,849 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1 2025-08-31T10:08:09,851 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2 2025-08-31T10:08:09,852 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2 2025-08-31T10:08:09,855 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2 2025-08-31T10:08:09,856 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2 2025-08-31T10:08:09,858 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1 2025-08-31T10:08:09,859 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1 2025-08-31T10:08:09,861 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4 2025-08-31T10:08:09,862 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4 2025-08-31T10:08:09,865 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1 2025-08-31T10:08:09,866 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1 2025-08-31T10:08:09,868 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6 2025-08-31T10:08:09,869 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6 2025-08-31T10:08:09,871 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2 2025-08-31T10:08:09,873 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2 2025-08-31T10:08:09,875 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p 2025-08-31T10:08:09,876 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p 2025-08-31T10:08:09,878 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1 2025-08-31T10:08:09,879 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1 2025-08-31T10:08:09,882 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3 2025-08-31T10:08:09,883 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3 2025-08-31T10:08:09,885 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene 2025-08-31T10:08:09,886 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene 2025-08-31T10:08:09,888 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e 2025-08-31T10:08:09,890 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e 2025-08-31T10:08:09,892 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me 2025-08-31T10:08:09,893 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me 2025-08-31T10:08:09,895 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2 2025-08-31T10:08:09,896 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2 2025-08-31T10:08:09,898 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e 2025-08-31T10:08:09,900 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e 2025-08-31T10:08:09,902 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1 2025-08-31T10:08:09,903 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1 2025-08-31T10:08:09,905 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1 2025-08-31T10:08:09,906 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1 2025-08-31T10:08:09,908 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1 2025-08-31T10:08:09,909 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1 2025-08-31T10:08:09,911 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3 2025-08-31T10:08:09,912 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3 2025-08-31T10:08:09,915 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e 2025-08-31T10:08:09,916 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e 2025-08-31T10:08:09,918 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int 2025-08-31T10:08:09,919 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int 2025-08-31T10:08:09,921 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e 2025-08-31T10:08:09,922 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e 2025-08-31T10:08:09,927 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2 2025-08-31T10:08:09,928 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2 2025-08-31T10:08:09,930 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e 2025-08-31T10:08:09,931 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e 2025-08-31T10:08:09,934 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3 2025-08-31T10:08:09,936 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3 2025-08-31T10:08:09,938 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3 2025-08-31T10:08:09,940 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3 2025-08-31T10:08:09,942 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3 2025-08-31T10:08:09,944 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3 2025-08-31T10:08:09,946 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5 2025-08-31T10:08:09,948 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5 2025-08-31T10:08:09,951 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2 2025-08-31T10:08:09,952 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2 2025-08-31T10:08:09,955 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e 2025-08-31T10:08:09,956 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e 2025-08-31T10:08:09,959 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl 2025-08-31T10:08:09,962 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl 2025-08-31T10:08:09,965 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3 2025-08-31T10:08:09,966 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3 2025-08-31T10:08:09,970 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n 2025-08-31T10:08:09,972 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n 2025-08-31T10:08:09,975 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2 2025-08-31T10:08:09,976 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2 2025-08-31T10:08:09,979 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A 2025-08-31T10:08:09,980 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A 2025-08-31T10:08:09,983 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s 2025-08-31T10:08:09,985 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s 2025-08-31T10:08:09,988 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5 2025-08-31T10:08:09,989 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5 2025-08-31T10:08:09,992 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he 2025-08-31T10:08:09,993 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he 2025-08-31T10:08:09,996 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68 2025-08-31T10:08:09,998 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68 2025-08-31T10:08:10,001 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74 2025-08-31T10:08:10,002 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74 2025-08-31T10:08:10,004 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71 2025-08-31T10:08:10,005 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71 2025-08-31T10:08:10,007 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1 2025-08-31T10:08:10,008 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1 2025-08-31T10:08:10,010 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans 2025-08-31T10:08:10,012 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans 2025-08-31T10:08:10,014 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar 2025-08-31T10:08:10,015 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar 2025-08-31T10:08:10,017 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh 2025-08-31T10:08:10,018 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh 2025-08-31T10:08:10,020 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80 2025-08-31T10:08:10,021 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80 2025-08-31T10:08:10,024 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2 2025-08-31T10:08:10,025 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2 2025-08-31T10:08:10,027 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S 2025-08-31T10:08:10,028 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S 2025-08-31T10:08:10,031 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts 2025-08-31T10:08:10,032 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts 2025-08-31T10:08:10,034 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A 2025-08-31T10:08:10,035 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A 2025-08-31T10:08:10,037 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh 2025-08-31T10:08:10,038 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh 2025-08-31T10:08:10,041 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc 2025-08-31T10:08:10,042 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc 2025-08-31T10:08:10,044 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4 2025-08-31T10:08:10,045 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4 2025-08-31T10:08:10,047 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75 2025-08-31T10:08:10,048 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75 2025-08-31T10:08:10,050 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1 2025-08-31T10:08:10,051 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1 2025-08-31T10:08:10,053 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis 2025-08-31T10:08:10,054 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis 2025-08-31T10:08:10,056 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8 2025-08-31T10:08:10,057 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8 2025-08-31T10:08:10,059 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76 2025-08-31T10:08:10,060 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76 2025-08-31T10:08:10,062 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2 2025-08-31T10:08:10,063 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2 2025-08-31T10:08:10,065 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr 2025-08-31T10:08:10,066 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr 2025-08-31T10:08:10,068 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2 2025-08-31T10:08:10,069 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2 2025-08-31T10:08:10,071 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf 2025-08-31T10:08:10,073 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf 2025-08-31T10:08:10,075 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf 2025-08-31T10:08:10,076 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf 2025-08-31T10:08:10,078 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al 2025-08-31T10:08:10,079 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al 2025-08-31T10:08:10,081 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k 2025-08-31T10:08:10,082 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k 2025-08-31T10:08:10,084 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3 2025-08-31T10:08:10,085 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3 2025-08-31T10:08:10,087 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c 2025-08-31T10:08:10,089 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c 2025-08-31T10:08:10,091 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be 2025-08-31T10:08:10,092 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be 2025-08-31T10:08:10,094 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis 2025-08-31T10:08:10,095 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis 2025-08-31T10:08:10,097 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p 2025-08-31T10:08:10,098 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p 2025-08-31T10:08:10,100 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2 2025-08-31T10:08:10,101 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2 2025-08-31T10:08:10,103 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B 2025-08-31T10:08:10,104 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B 2025-08-31T10:08:10,106 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+ 2025-08-31T10:08:10,107 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+ 2025-08-31T10:08:10,109 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar 2025-08-31T10:08:10,110 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar 2025-08-31T10:08:10,112 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH 2025-08-31T10:08:10,114 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH 2025-08-31T10:08:10,116 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64 2025-08-31T10:08:10,117 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64 2025-08-31T10:08:10,119 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2 2025-08-31T10:08:10,120 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2 2025-08-31T10:08:10,122 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34 2025-08-31T10:08:10,123 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34 2025-08-31T10:08:10,125 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s 2025-08-31T10:08:10,126 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s 2025-08-31T10:08:10,129 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco 2025-08-31T10:08:10,130 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco 2025-08-31T10:08:10,132 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr 2025-08-31T10:08:10,133 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr 2025-08-31T10:08:10,135 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20 2025-08-31T10:08:10,138 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20 2025-08-31T10:08:10,140 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73 2025-08-31T10:08:10,141 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73 2025-08-31T10:08:10,143 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2 2025-08-31T10:08:10,145 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2 2025-08-31T10:08:10,147 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b 2025-08-31T10:08:10,149 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b 2025-08-31T10:08:10,151 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf 2025-08-31T10:08:10,153 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf 2025-08-31T10:08:10,155 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+ 2025-08-31T10:08:10,156 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+ 2025-08-31T10:08:10,159 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2 2025-08-31T10:08:10,160 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2 2025-08-31T10:08:10,163 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2 2025-08-31T10:08:10,164 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2 2025-08-31T10:08:10,167 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a 2025-08-31T10:08:10,168 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a 2025-08-31T10:08:10,171 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3 2025-08-31T10:08:10,172 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3 2025-08-31T10:08:10,175 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3 2025-08-31T10:08:10,176 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3 2025-08-31T10:08:10,178 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+ 2025-08-31T10:08:10,180 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+ 2025-08-31T10:08:10,182 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f 2025-08-31T10:08:10,184 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f 2025-08-31T10:08:10,186 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic 2025-08-31T10:08:10,187 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic 2025-08-31T10:08:10,190 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts 2025-08-31T10:08:10,191 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts 2025-08-31T10:08:10,194 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18 2025-08-31T10:08:10,195 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18 2025-08-31T10:08:10,197 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS 2025-08-31T10:08:10,199 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS 2025-08-31T10:08:10,201 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH 2025-08-31T10:08:10,203 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH 2025-08-31T10:08:10,205 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59 2025-08-31T10:08:10,206 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59 2025-08-31T10:08:10,209 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20 2025-08-31T10:08:10,210 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20 2025-08-31T10:08:10,212 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40 2025-08-31T10:08:10,214 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40 2025-08-31T10:08:10,216 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2 2025-08-31T10:08:10,218 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2 2025-08-31T10:08:10,220 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr 2025-08-31T10:08:10,221 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr 2025-08-31T10:08:10,223 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr 2025-08-31T10:08:10,224 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr 2025-08-31T10:08:10,226 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47 2025-08-31T10:08:10,227 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47 2025-08-31T10:08:10,229 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67 2025-08-31T10:08:10,230 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67 2025-08-31T10:08:10,232 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2 2025-08-31T10:08:10,233 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2 2025-08-31T10:08:10,235 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o 2025-08-31T10:08:10,236 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o 2025-08-31T10:08:10,238 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne 2025-08-31T10:08:10,239 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne 2025-08-31T10:08:10,241 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17 2025-08-31T10:08:10,242 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17 2025-08-31T10:08:10,244 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13 2025-08-31T10:08:10,245 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13 2025-08-31T10:08:10,247 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4 2025-08-31T10:08:10,248 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4 2025-08-31T10:08:10,250 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH 2025-08-31T10:08:10,252 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH 2025-08-31T10:08:10,254 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12 2025-08-31T10:08:10,255 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12 2025-08-31T10:08:10,257 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58 2025-08-31T10:08:10,258 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58 2025-08-31T10:08:10,260 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1 2025-08-31T10:08:10,261 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1 2025-08-31T10:08:10,264 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3 2025-08-31T10:08:10,265 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3 2025-08-31T10:08:10,267 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts 2025-08-31T10:08:10,268 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts 2025-08-31T10:08:10,270 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25 2025-08-31T10:08:10,271 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25 2025-08-31T10:08:10,274 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+ 2025-08-31T10:08:10,275 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+ 2025-08-31T10:08:10,277 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4 2025-08-31T10:08:10,278 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4 2025-08-31T10:08:10,280 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4 2025-08-31T10:08:10,281 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4 2025-08-31T10:08:10,282 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs 2025-08-31T10:08:10,284 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs 2025-08-31T10:08:10,286 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn 2025-08-31T10:08:10,287 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn 2025-08-31T10:08:10,289 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B 2025-08-31T10:08:10,290 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B 2025-08-31T10:08:10,292 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25 2025-08-31T10:08:10,293 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25 2025-08-31T10:08:10,295 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6 2025-08-31T10:08:10,296 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6 2025-08-31T10:08:10,298 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25 2025-08-31T10:08:10,299 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25 2025-08-31T10:08:10,301 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4 2025-08-31T10:08:10,302 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4 2025-08-31T10:08:10,304 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B 2025-08-31T10:08:10,305 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B 2025-08-31T10:08:10,307 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe 2025-08-31T10:08:10,308 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe 2025-08-31T10:08:10,311 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao 2025-08-31T10:08:10,312 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao 2025-08-31T10:08:10,314 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp 2025-08-31T10:08:10,315 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp 2025-08-31T10:08:10,317 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1 2025-08-31T10:08:10,318 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1 2025-08-31T10:08:10,320 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20 2025-08-31T10:08:10,321 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20 2025-08-31T10:08:10,324 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p 2025-08-31T10:08:10,325 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p 2025-08-31T10:08:10,327 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg 2025-08-31T10:08:10,328 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg 2025-08-31T10:08:10,330 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14 2025-08-31T10:08:10,331 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14 2025-08-31T10:08:10,333 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2 2025-08-31T10:08:10,334 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2 2025-08-31T10:08:10,336 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24 2025-08-31T10:08:10,337 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24 2025-08-31T10:08:10,339 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n 2025-08-31T10:08:10,340 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n 2025-08-31T10:08:10,343 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s 2025-08-31T10:08:10,344 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s 2025-08-31T10:08:10,346 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl 2025-08-31T10:08:10,347 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl 2025-08-31T10:08:10,349 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45 2025-08-31T10:08:10,350 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45 2025-08-31T10:08:10,353 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl 2025-08-31T10:08:10,354 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl 2025-08-31T10:08:10,356 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78 2025-08-31T10:08:10,357 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78 2025-08-31T10:08:10,359 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b 2025-08-31T10:08:10,360 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b 2025-08-31T10:08:10,362 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B 2025-08-31T10:08:10,364 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B 2025-08-31T10:08:10,366 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl 2025-08-31T10:08:10,367 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl 2025-08-31T10:08:10,369 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10 2025-08-31T10:08:10,370 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10 2025-08-31T10:08:10,372 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n 2025-08-31T10:08:10,373 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n 2025-08-31T10:08:10,375 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2 2025-08-31T10:08:10,376 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2 2025-08-31T10:08:10,378 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20 2025-08-31T10:08:10,380 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20 2025-08-31T10:08:10,382 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5 2025-08-31T10:08:10,383 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5 2025-08-31T10:08:10,385 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43 2025-08-31T10:08:10,386 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43 2025-08-31T10:08:10,388 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h 2025-08-31T10:08:10,389 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h 2025-08-31T10:08:10,391 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3 2025-08-31T10:08:10,392 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3 2025-08-31T10:08:10,395 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A 2025-08-31T10:08:10,395 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A 2025-08-31T10:08:10,397 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s- 2025-08-31T10:08:10,398 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s- 2025-08-31T10:08:10,400 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca 2025-08-31T10:08:10,401 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca 2025-08-31T10:08:10,404 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02 2025-08-31T10:08:10,404 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02 2025-08-31T10:08:10,406 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+ 2025-08-31T10:08:10,407 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+ 2025-08-31T10:08:10,410 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl 2025-08-31T10:08:10,411 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl 2025-08-31T10:08:10,413 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A 2025-08-31T10:08:10,415 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A 2025-08-31T10:08:10,417 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si 2025-08-31T10:08:10,418 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si 2025-08-31T10:08:10,420 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A 2025-08-31T10:08:10,421 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A 2025-08-31T10:08:10,423 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A 2025-08-31T10:08:10,424 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A 2025-08-31T10:08:10,426 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots 2025-08-31T10:08:10,427 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots 2025-08-31T10:08:10,429 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n 2025-08-31T10:08:10,430 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n 2025-08-31T10:08:10,433 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A 2025-08-31T10:08:10,434 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A 2025-08-31T10:08:10,436 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n 2025-08-31T10:08:10,437 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n 2025-08-31T10:08:10,439 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi 2025-08-31T10:08:10,440 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi 2025-08-31T10:08:10,442 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O 2025-08-31T10:08:10,443 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O 2025-08-31T10:08:10,445 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2 2025-08-31T10:08:10,446 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2 2025-08-31T10:08:10,448 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne 2025-08-31T10:08:10,450 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne 2025-08-31T10:08:10,453 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn 2025-08-31T10:08:10,454 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn 2025-08-31T10:08:10,456 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2 2025-08-31T10:08:10,457 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2 2025-08-31T10:08:10,459 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B 2025-08-31T10:08:10,460 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B 2025-08-31T10:08:10,462 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B 2025-08-31T10:08:10,463 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B 2025-08-31T10:08:10,466 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p 2025-08-31T10:08:10,467 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p 2025-08-31T10:08:10,470 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39 2025-08-31T10:08:10,471 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39 2025-08-31T10:08:10,475 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f 2025-08-31T10:08:10,476 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f 2025-08-31T10:08:10,480 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo 2025-08-31T10:08:10,481 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo 2025-08-31T10:08:10,484 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm 2025-08-31T10:08:10,485 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm 2025-08-31T10:08:10,487 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS 2025-08-31T10:08:10,488 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS 2025-08-31T10:08:10,490 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo 2025-08-31T10:08:10,491 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo 2025-08-31T10:08:10,494 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s 2025-08-31T10:08:10,495 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s 2025-08-31T10:08:10,497 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp 2025-08-31T10:08:10,498 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp 2025-08-31T10:08:10,501 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+ 2025-08-31T10:08:10,502 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+ 2025-08-31T10:08:10,506 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48 2025-08-31T10:08:10,507 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48 2025-08-31T10:08:10,511 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh 2025-08-31T10:08:10,512 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh 2025-08-31T10:08:10,515 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl 2025-08-31T10:08:10,516 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl 2025-08-31T10:08:10,518 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl 2025-08-31T10:08:10,519 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl 2025-08-31T10:08:10,521 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O 2025-08-31T10:08:10,522 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O 2025-08-31T10:08:10,524 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A 2025-08-31T10:08:10,525 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A 2025-08-31T10:08:10,527 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21 2025-08-31T10:08:10,528 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21 2025-08-31T10:08:10,531 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B 2025-08-31T10:08:10,533 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B 2025-08-31T10:08:10,535 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2 2025-08-31T10:08:10,537 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2 2025-08-31T10:08:10,539 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+ 2025-08-31T10:08:10,540 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+ 2025-08-31T10:08:10,543 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43 2025-08-31T10:08:10,544 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43 2025-08-31T10:08:10,546 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0 2025-08-31T10:08:10,547 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0 2025-08-31T10:08:10,550 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3 2025-08-31T10:08:10,551 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3 2025-08-31T10:08:10,553 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42 2025-08-31T10:08:10,554 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42 2025-08-31T10:08:10,556 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2 2025-08-31T10:08:10,557 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2 2025-08-31T10:08:10,559 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72 2025-08-31T10:08:10,560 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72 2025-08-31T10:08:10,563 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4 2025-08-31T10:08:10,564 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4 2025-08-31T10:08:10,566 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72 2025-08-31T10:08:10,567 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72 2025-08-31T10:08:10,570 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1 2025-08-31T10:08:10,571 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1 2025-08-31T10:08:10,573 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71 2025-08-31T10:08:10,574 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71 2025-08-31T10:08:10,576 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41 2025-08-31T10:08:10,577 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41 2025-08-31T10:08:10,579 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2 2025-08-31T10:08:10,580 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2 2025-08-31T10:08:10,582 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1 2025-08-31T10:08:10,583 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1 2025-08-31T10:08:10,585 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3 2025-08-31T10:08:10,586 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3 2025-08-31T10:08:10,589 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2 2025-08-31T10:08:10,590 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2 2025-08-31T10:08:10,592 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3 2025-08-31T10:08:10,593 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3 2025-08-31T10:08:10,595 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42 2025-08-31T10:08:10,596 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42 2025-08-31T10:08:10,598 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0 2025-08-31T10:08:10,599 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0 2025-08-31T10:08:10,602 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41 2025-08-31T10:08:10,603 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41 2025-08-31T10:08:10,605 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2 2025-08-31T10:08:10,606 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2 2025-08-31T10:08:10,608 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42 2025-08-31T10:08:10,609 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42 2025-08-31T10:08:10,611 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0 2025-08-31T10:08:10,612 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0 2025-08-31T10:08:10,614 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3 2025-08-31T10:08:10,615 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3 2025-08-31T10:08:10,618 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1 2025-08-31T10:08:10,619 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1 2025-08-31T10:08:10,621 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71 2025-08-31T10:08:10,622 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71 2025-08-31T10:08:10,624 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2 2025-08-31T10:08:10,625 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2 2025-08-31T10:08:10,627 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1 2025-08-31T10:08:10,628 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1 2025-08-31T10:08:10,630 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0 2025-08-31T10:08:10,631 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0 2025-08-31T10:08:10,633 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41 2025-08-31T10:08:10,634 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41 2025-08-31T10:08:10,636 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0 2025-08-31T10:08:10,637 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0 2025-08-31T10:08:10,639 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2 2025-08-31T10:08:10,640 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2 2025-08-31T10:08:10,643 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22 2025-08-31T10:08:10,644 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22 2025-08-31T10:08:10,646 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f 2025-08-31T10:08:10,648 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f 2025-08-31T10:08:10,650 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1 2025-08-31T10:08:10,651 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1 2025-08-31T10:08:10,653 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2 2025-08-31T10:08:10,654 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2 2025-08-31T10:08:10,656 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2 2025-08-31T10:08:10,657 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2 2025-08-31T10:08:10,659 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f 2025-08-31T10:08:10,661 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f 2025-08-31T10:08:10,663 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l 2025-08-31T10:08:10,664 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l 2025-08-31T10:08:10,666 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant 2025-08-31T10:08:10,667 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant 2025-08-31T10:08:10,669 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene 2025-08-31T10:08:10,670 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene 2025-08-31T10:08:10,673 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer 2025-08-31T10:08:10,675 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer 2025-08-31T10:08:10,678 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l 2025-08-31T10:08:10,679 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l 2025-08-31T10:08:10,682 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1 2025-08-31T10:08:10,683 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1 2025-08-31T10:08:10,685 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2 2025-08-31T10:08:10,687 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2 2025-08-31T10:08:10,689 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole 2025-08-31T10:08:10,691 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole 2025-08-31T10:08:10,694 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS 2025-08-31T10:08:10,696 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS 2025-08-31T10:08:10,698 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S 2025-08-31T10:08:10,699 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S 2025-08-31T10:08:10,701 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2025-08-31T10:08:10,702 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2025-08-31T10:08:10,704 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene 2025-08-31T10:08:10,706 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene 2025-08-31T10:08:10,708 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS 2025-08-31T10:08:10,709 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS 2025-08-31T10:08:10,711 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS 2025-08-31T10:08:10,712 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS 2025-08-31T10:08:10,714 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene 2025-08-31T10:08:10,715 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene 2025-08-31T10:08:10,718 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2 2025-08-31T10:08:10,719 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2 2025-08-31T10:08:10,721 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene 2025-08-31T10:08:10,722 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene 2025-08-31T10:08:10,724 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene 2025-08-31T10:08:10,725 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene 2025-08-31T10:08:10,727 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS 2025-08-31T10:08:10,729 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS 2025-08-31T10:08:10,731 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine 2025-08-31T10:08:10,732 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine 2025-08-31T10:08:10,734 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS 2025-08-31T10:08:10,735 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS 2025-08-31T10:08:10,738 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS 2025-08-31T10:08:10,739 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS 2025-08-31T10:08:10,741 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS 2025-08-31T10:08:10,742 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS 2025-08-31T10:08:10,744 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS 2025-08-31T10:08:10,745 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS 2025-08-31T10:08:10,747 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS 2025-08-31T10:08:10,748 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS 2025-08-31T10:08:10,750 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS 2025-08-31T10:08:10,751 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS 2025-08-31T10:08:10,754 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS 2025-08-31T10:08:10,755 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS 2025-08-31T10:08:10,757 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS 2025-08-31T10:08:10,758 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS 2025-08-31T10:08:10,760 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene 2025-08-31T10:08:10,761 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene 2025-08-31T10:08:10,763 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether 2025-08-31T10:08:10,764 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether 2025-08-31T10:08:10,766 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene 2025-08-31T10:08:10,768 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene 2025-08-31T10:08:10,770 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph 2025-08-31T10:08:10,771 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph 2025-08-31T10:08:10,773 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS 2025-08-31T10:08:10,774 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS 2025-08-31T10:08:10,776 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3 2025-08-31T10:08:10,777 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3 2025-08-31T10:08:10,780 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene 2025-08-31T10:08:10,781 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene 2025-08-31T10:08:10,783 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS 2025-08-31T10:08:10,784 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS 2025-08-31T10:08:10,786 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3 2025-08-31T10:08:10,787 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3 2025-08-31T10:08:10,790 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene 2025-08-31T10:08:10,791 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene 2025-08-31T10:08:10,793 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS 2025-08-31T10:08:10,794 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS 2025-08-31T10:08:10,796 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS 2025-08-31T10:08:10,797 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS 2025-08-31T10:08:10,799 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene 2025-08-31T10:08:10,800 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene 2025-08-31T10:08:10,803 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene 2025-08-31T10:08:10,804 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene 2025-08-31T10:08:10,806 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS 2025-08-31T10:08:10,807 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS 2025-08-31T10:08:10,809 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether 2025-08-31T10:08:10,810 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether 2025-08-31T10:08:10,813 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3 2025-08-31T10:08:10,814 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3 2025-08-31T10:08:10,817 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS 2025-08-31T10:08:10,818 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS 2025-08-31T10:08:10,820 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3 2025-08-31T10:08:10,821 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3 2025-08-31T10:08:10,823 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS 2025-08-31T10:08:10,825 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS 2025-08-31T10:08:10,827 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3 2025-08-31T10:08:10,828 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3 2025-08-31T10:08:10,830 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene 2025-08-31T10:08:10,831 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene 2025-08-31T10:08:10,833 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS 2025-08-31T10:08:10,834 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS 2025-08-31T10:08:10,837 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS 2025-08-31T10:08:10,838 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS 2025-08-31T10:08:10,840 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O 2025-08-31T10:08:10,841 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O 2025-08-31T10:08:10,843 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS 2025-08-31T10:08:10,845 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS 2025-08-31T10:08:10,847 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS 2025-08-31T10:08:10,848 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS 2025-08-31T10:08:10,850 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+ 2025-08-31T10:08:10,852 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+ 2025-08-31T10:08:10,854 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt 2025-08-31T10:08:10,855 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt 2025-08-31T10:08:10,857 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G 2025-08-31T10:08:10,858 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G 2025-08-31T10:08:10,860 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT 2025-08-31T10:08:10,861 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT 2025-08-31T10:08:10,863 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g- 2025-08-31T10:08:10,864 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g- 2025-08-31T10:08:10,866 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX 2025-08-31T10:08:10,867 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX 2025-08-31T10:08:10,869 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg 2025-08-31T10:08:10,870 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg 2025-08-31T10:08:10,873 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG 2025-08-31T10:08:10,874 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG 2025-08-31T10:08:10,876 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+ 2025-08-31T10:08:10,877 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+ 2025-08-31T10:08:10,879 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt 2025-08-31T10:08:10,880 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt 2025-08-31T10:08:10,882 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt 2025-08-31T10:08:10,883 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt 2025-08-31T10:08:10,886 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T 2025-08-31T10:08:10,887 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T 2025-08-31T10:08:10,890 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG 2025-08-31T10:08:10,891 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG 2025-08-31T10:08:10,894 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g- 2025-08-31T10:08:10,895 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g- 2025-08-31T10:08:10,898 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg 2025-08-31T10:08:10,899 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg 2025-08-31T10:08:10,902 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x- 2025-08-31T10:08:10,903 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x- 2025-08-31T10:08:10,906 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg 2025-08-31T10:08:10,907 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg 2025-08-31T10:08:10,910 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g- 2025-08-31T10:08:10,911 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g- 2025-08-31T10:08:10,914 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23 2025-08-31T10:08:10,916 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23 2025-08-31T10:08:10,918 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4 2025-08-31T10:08:10,919 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4 2025-08-31T10:08:10,922 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8 2025-08-31T10:08:10,923 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8 2025-08-31T10:08:10,926 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30 2025-08-31T10:08:10,927 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30 2025-08-31T10:08:10,929 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3 2025-08-31T10:08:10,931 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3 2025-08-31T10:08:10,933 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29 2025-08-31T10:08:10,934 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29 2025-08-31T10:08:10,937 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42 2025-08-31T10:08:10,938 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42 2025-08-31T10:08:10,941 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10 2025-08-31T10:08:10,942 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10 2025-08-31T10:08:10,945 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34 2025-08-31T10:08:10,946 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34 2025-08-31T10:08:10,949 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22 2025-08-31T10:08:10,950 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22 2025-08-31T10:08:10,952 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18 2025-08-31T10:08:10,954 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18 2025-08-31T10:08:10,956 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16 2025-08-31T10:08:10,958 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16 2025-08-31T10:08:10,960 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7 2025-08-31T10:08:10,961 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7 2025-08-31T10:08:10,964 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52 2025-08-31T10:08:10,965 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52 2025-08-31T10:08:10,968 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37 2025-08-31T10:08:10,969 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37 2025-08-31T10:08:10,972 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40 2025-08-31T10:08:10,973 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40 2025-08-31T10:08:10,976 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28 2025-08-31T10:08:10,977 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28 2025-08-31T10:08:10,980 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36 2025-08-31T10:08:10,981 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36 2025-08-31T10:08:10,984 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47 2025-08-31T10:08:10,985 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47 2025-08-31T10:08:10,987 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21 2025-08-31T10:08:10,989 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21 2025-08-31T10:08:10,991 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13 2025-08-31T10:08:10,992 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13 2025-08-31T10:08:10,994 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25 2025-08-31T10:08:10,995 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25 2025-08-31T10:08:10,997 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32 2025-08-31T10:08:10,998 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32 2025-08-31T10:08:11,000 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6 2025-08-31T10:08:11,001 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6 2025-08-31T10:08:11,003 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41 2025-08-31T10:08:11,004 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41 2025-08-31T10:08:11,006 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14 2025-08-31T10:08:11,007 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14 2025-08-31T10:08:11,009 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1 2025-08-31T10:08:11,011 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1 2025-08-31T10:08:11,013 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15 2025-08-31T10:08:11,014 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15 2025-08-31T10:08:11,016 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38 2025-08-31T10:08:11,017 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38 2025-08-31T10:08:11,019 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24 2025-08-31T10:08:11,020 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24 2025-08-31T10:08:11,023 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19 2025-08-31T10:08:11,024 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19 2025-08-31T10:08:11,026 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31 2025-08-31T10:08:11,027 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31 2025-08-31T10:08:11,029 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45 2025-08-31T10:08:11,030 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45 2025-08-31T10:08:11,032 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50 2025-08-31T10:08:11,034 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50 2025-08-31T10:08:11,036 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26 2025-08-31T10:08:11,037 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26 2025-08-31T10:08:11,039 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46 2025-08-31T10:08:11,040 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46 2025-08-31T10:08:11,043 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2 2025-08-31T10:08:11,044 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2 2025-08-31T10:08:11,046 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20 2025-08-31T10:08:11,047 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20 2025-08-31T10:08:11,049 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5 2025-08-31T10:08:11,050 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5 2025-08-31T10:08:11,052 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43 2025-08-31T10:08:11,053 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43 2025-08-31T10:08:11,055 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44 2025-08-31T10:08:11,056 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44 2025-08-31T10:08:11,058 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33 2025-08-31T10:08:11,059 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33 2025-08-31T10:08:11,062 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12 2025-08-31T10:08:11,063 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12 2025-08-31T10:08:11,065 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17 2025-08-31T10:08:11,066 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17 2025-08-31T10:08:11,069 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35 2025-08-31T10:08:11,070 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35 2025-08-31T10:08:11,072 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51 2025-08-31T10:08:11,073 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51 2025-08-31T10:08:11,075 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9 2025-08-31T10:08:11,076 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9 2025-08-31T10:08:11,079 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39 2025-08-31T10:08:11,080 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39 2025-08-31T10:08:11,082 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49 2025-08-31T10:08:11,083 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49 2025-08-31T10:08:11,085 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48 2025-08-31T10:08:11,086 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48 2025-08-31T10:08:11,088 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11 2025-08-31T10:08:11,090 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11 2025-08-31T10:08:11,092 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27 2025-08-31T10:08:11,093 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27 2025-08-31T10:08:11,096 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O 2025-08-31T10:08:11,097 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O 2025-08-31T10:08:11,099 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL 2025-08-31T10:08:11,101 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL 2025-08-31T10:08:11,103 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A 2025-08-31T10:08:11,104 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A 2025-08-31T10:08:11,106 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B 2025-08-31T10:08:11,107 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B 2025-08-31T10:08:11,109 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B 2025-08-31T10:08:11,110 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B 2025-08-31T10:08:11,112 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A 2025-08-31T10:08:11,113 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A 2025-08-31T10:08:11,115 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A 2025-08-31T10:08:11,116 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A 2025-08-31T10:08:11,118 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B 2025-08-31T10:08:11,120 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B 2025-08-31T10:08:11,122 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL 2025-08-31T10:08:11,123 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL 2025-08-31T10:08:11,125 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A 2025-08-31T10:08:11,126 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A 2025-08-31T10:08:11,128 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N 2025-08-31T10:08:11,129 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N 2025-08-31T10:08:11,131 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL 2025-08-31T10:08:11,132 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL 2025-08-31T10:08:11,135 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL 2025-08-31T10:08:11,136 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL 2025-08-31T10:08:11,138 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A 2025-08-31T10:08:11,139 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A 2025-08-31T10:08:11,141 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A 2025-08-31T10:08:11,142 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A 2025-08-31T10:08:11,144 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B 2025-08-31T10:08:11,145 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B 2025-08-31T10:08:11,148 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B 2025-08-31T10:08:11,149 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B 2025-08-31T10:08:11,151 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A 2025-08-31T10:08:11,152 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A 2025-08-31T10:08:11,154 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A 2025-08-31T10:08:11,156 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A 2025-08-31T10:08:11,158 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B 2025-08-31T10:08:11,159 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B 2025-08-31T10:08:11,161 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N 2025-08-31T10:08:11,162 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N 2025-08-31T10:08:11,164 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A 2025-08-31T10:08:11,165 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A 2025-08-31T10:08:11,167 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B 2025-08-31T10:08:11,168 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B 2025-08-31T10:08:11,170 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A 2025-08-31T10:08:11,171 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A 2025-08-31T10:08:11,173 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B 2025-08-31T10:08:11,174 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B 2025-08-31T10:08:11,176 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A 2025-08-31T10:08:11,177 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A 2025-08-31T10:08:11,179 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N 2025-08-31T10:08:11,180 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N 2025-08-31T10:08:11,183 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B 2025-08-31T10:08:11,184 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B 2025-08-31T10:08:11,186 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A 2025-08-31T10:08:11,187 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A 2025-08-31T10:08:11,189 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B 2025-08-31T10:08:11,190 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B 2025-08-31T10:08:11,192 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N 2025-08-31T10:08:11,193 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N 2025-08-31T10:08:11,196 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O 2025-08-31T10:08:11,197 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O 2025-08-31T10:08:11,199 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O 2025-08-31T10:08:11,200 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O 2025-08-31T10:08:11,202 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B 2025-08-31T10:08:11,203 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B 2025-08-31T10:08:11,206 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O 2025-08-31T10:08:11,207 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O 2025-08-31T10:08:11,209 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B 2025-08-31T10:08:11,210 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B 2025-08-31T10:08:11,212 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A 2025-08-31T10:08:11,214 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A 2025-08-31T10:08:11,216 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A 2025-08-31T10:08:11,217 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A 2025-08-31T10:08:11,219 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A 2025-08-31T10:08:11,220 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A 2025-08-31T10:08:11,222 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4 2025-08-31T10:08:11,223 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4 2025-08-31T10:08:11,225 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B 2025-08-31T10:08:11,226 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B 2025-08-31T10:08:11,229 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8 2025-08-31T10:08:11,230 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8 2025-08-31T10:08:11,232 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A 2025-08-31T10:08:11,233 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A 2025-08-31T10:08:11,235 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B 2025-08-31T10:08:11,236 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B 2025-08-31T10:08:11,238 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3 2025-08-31T10:08:11,240 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3 2025-08-31T10:08:11,242 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B 2025-08-31T10:08:11,243 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B 2025-08-31T10:08:11,245 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A 2025-08-31T10:08:11,246 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A 2025-08-31T10:08:11,249 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10 2025-08-31T10:08:11,250 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10 2025-08-31T10:08:11,252 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A 2025-08-31T10:08:11,254 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A 2025-08-31T10:08:11,256 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18 2025-08-31T10:08:11,257 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18 2025-08-31T10:08:11,259 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16 2025-08-31T10:08:11,260 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16 2025-08-31T10:08:11,263 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7 2025-08-31T10:08:11,264 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7 2025-08-31T10:08:11,266 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B 2025-08-31T10:08:11,267 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B 2025-08-31T10:08:11,270 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A 2025-08-31T10:08:11,271 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A 2025-08-31T10:08:11,273 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B 2025-08-31T10:08:11,275 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B 2025-08-31T10:08:11,277 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21 2025-08-31T10:08:11,278 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21 2025-08-31T10:08:11,280 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B 2025-08-31T10:08:11,281 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B 2025-08-31T10:08:11,283 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13 2025-08-31T10:08:11,284 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13 2025-08-31T10:08:11,286 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B 2025-08-31T10:08:11,287 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B 2025-08-31T10:08:11,289 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B 2025-08-31T10:08:11,290 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B 2025-08-31T10:08:11,293 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6 2025-08-31T10:08:11,294 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6 2025-08-31T10:08:11,296 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A 2025-08-31T10:08:11,297 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A 2025-08-31T10:08:11,299 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B 2025-08-31T10:08:11,300 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B 2025-08-31T10:08:11,302 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14 2025-08-31T10:08:11,303 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14 2025-08-31T10:08:11,305 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1 2025-08-31T10:08:11,306 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1 2025-08-31T10:08:11,309 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A 2025-08-31T10:08:11,310 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A 2025-08-31T10:08:11,312 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15 2025-08-31T10:08:11,313 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15 2025-08-31T10:08:11,315 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B 2025-08-31T10:08:11,316 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B 2025-08-31T10:08:11,318 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A 2025-08-31T10:08:11,319 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A 2025-08-31T10:08:11,321 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19 2025-08-31T10:08:11,322 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19 2025-08-31T10:08:11,325 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A 2025-08-31T10:08:11,326 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A 2025-08-31T10:08:11,328 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B 2025-08-31T10:08:11,329 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B 2025-08-31T10:08:11,331 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B 2025-08-31T10:08:11,332 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B 2025-08-31T10:08:11,334 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B 2025-08-31T10:08:11,336 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B 2025-08-31T10:08:11,338 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2 2025-08-31T10:08:11,339 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2 2025-08-31T10:08:11,341 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20 2025-08-31T10:08:11,342 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20 2025-08-31T10:08:11,344 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B 2025-08-31T10:08:11,345 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B 2025-08-31T10:08:11,347 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5 2025-08-31T10:08:11,348 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5 2025-08-31T10:08:11,350 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A 2025-08-31T10:08:11,352 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A 2025-08-31T10:08:11,354 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A 2025-08-31T10:08:11,356 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A 2025-08-31T10:08:11,358 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B 2025-08-31T10:08:11,359 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B 2025-08-31T10:08:11,361 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A 2025-08-31T10:08:11,362 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A 2025-08-31T10:08:11,364 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B 2025-08-31T10:08:11,365 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B 2025-08-31T10:08:11,367 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A 2025-08-31T10:08:11,369 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A 2025-08-31T10:08:11,371 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B 2025-08-31T10:08:11,372 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B 2025-08-31T10:08:11,374 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A 2025-08-31T10:08:11,375 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A 2025-08-31T10:08:11,377 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A 2025-08-31T10:08:11,379 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A 2025-08-31T10:08:11,381 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12 2025-08-31T10:08:11,382 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12 2025-08-31T10:08:11,384 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17 2025-08-31T10:08:11,385 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17 2025-08-31T10:08:11,387 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A 2025-08-31T10:08:11,388 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A 2025-08-31T10:08:11,391 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B 2025-08-31T10:08:11,392 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B 2025-08-31T10:08:11,394 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9 2025-08-31T10:08:11,395 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9 2025-08-31T10:08:11,397 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A 2025-08-31T10:08:11,398 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A 2025-08-31T10:08:11,400 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B 2025-08-31T10:08:11,401 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B 2025-08-31T10:08:11,403 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A 2025-08-31T10:08:11,404 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A 2025-08-31T10:08:11,406 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B 2025-08-31T10:08:11,407 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B 2025-08-31T10:08:11,409 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A 2025-08-31T10:08:11,411 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A 2025-08-31T10:08:11,413 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B 2025-08-31T10:08:11,414 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B 2025-08-31T10:08:11,416 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11 2025-08-31T10:08:11,417 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11 2025-08-31T10:08:11,419 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl 2025-08-31T10:08:11,421 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl 2025-08-31T10:08:11,423 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal 2025-08-31T10:08:11,424 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal 2025-08-31T10:08:11,427 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn 2025-08-31T10:08:11,428 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn 2025-08-31T10:08:11,430 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh 2025-08-31T10:08:11,431 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh 2025-08-31T10:08:11,433 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2 2025-08-31T10:08:11,435 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2 2025-08-31T10:08:11,437 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4 2025-08-31T10:08:11,438 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4 2025-08-31T10:08:11,440 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh 2025-08-31T10:08:11,441 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh 2025-08-31T10:08:11,444 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2 2025-08-31T10:08:11,445 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2 2025-08-31T10:08:11,447 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2 2025-08-31T10:08:11,448 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2 2025-08-31T10:08:11,450 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs 2025-08-31T10:08:11,451 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs 2025-08-31T10:08:11,453 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4 2025-08-31T10:08:11,454 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4 2025-08-31T10:08:11,457 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh 2025-08-31T10:08:11,458 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh 2025-08-31T10:08:11,460 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc 2025-08-31T10:08:11,461 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc 2025-08-31T10:08:11,465 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p 2025-08-31T10:08:11,466 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p 2025-08-31T10:08:11,468 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o 2025-08-31T10:08:11,469 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o 2025-08-31T10:08:11,471 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn 2025-08-31T10:08:11,472 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn 2025-08-31T10:08:11,474 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2 2025-08-31T10:08:11,475 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2 2025-08-31T10:08:11,477 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh 2025-08-31T10:08:11,478 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh 2025-08-31T10:08:11,480 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2 2025-08-31T10:08:11,482 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2 2025-08-31T10:08:11,484 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh 2025-08-31T10:08:11,485 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh 2025-08-31T10:08:11,487 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf 2025-08-31T10:08:11,488 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf 2025-08-31T10:08:11,490 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c 2025-08-31T10:08:11,491 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c 2025-08-31T10:08:11,494 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no 2025-08-31T10:08:11,495 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no 2025-08-31T10:08:11,497 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o 2025-08-31T10:08:11,498 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o 2025-08-31T10:08:11,500 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al 2025-08-31T10:08:11,501 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al 2025-08-31T10:08:11,503 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs 2025-08-31T10:08:11,505 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs 2025-08-31T10:08:11,507 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3 2025-08-31T10:08:11,508 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3 2025-08-31T10:08:11,510 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn 2025-08-31T10:08:11,511 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn 2025-08-31T10:08:11,513 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c 2025-08-31T10:08:11,514 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c 2025-08-31T10:08:11,516 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc 2025-08-31T10:08:11,517 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc 2025-08-31T10:08:11,520 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be 2025-08-31T10:08:11,521 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be 2025-08-31T10:08:11,523 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o 2025-08-31T10:08:11,524 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o 2025-08-31T10:08:11,526 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf 2025-08-31T10:08:11,527 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf 2025-08-31T10:08:11,529 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6 2025-08-31T10:08:11,530 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6 2025-08-31T10:08:11,533 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n 2025-08-31T10:08:11,534 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n 2025-08-31T10:08:11,536 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono 2025-08-31T10:08:11,537 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono 2025-08-31T10:08:11,539 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif 2025-08-31T10:08:11,540 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif 2025-08-31T10:08:11,542 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4 2025-08-31T10:08:11,543 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4 2025-08-31T10:08:11,546 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch 2025-08-31T10:08:11,547 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch 2025-08-31T10:08:11,549 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde 2025-08-31T10:08:11,550 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde 2025-08-31T10:08:11,552 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o 2025-08-31T10:08:11,553 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o 2025-08-31T10:08:11,556 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene 2025-08-31T10:08:11,557 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene 2025-08-31T10:08:11,559 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2 2025-08-31T10:08:11,560 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2 2025-08-31T10:08:11,562 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2 2025-08-31T10:08:11,563 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2 2025-08-31T10:08:11,565 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3 2025-08-31T10:08:11,567 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3 2025-08-31T10:08:11,569 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s 2025-08-31T10:08:11,570 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s 2025-08-31T10:08:11,572 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco 2025-08-31T10:08:11,573 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco 2025-08-31T10:08:11,575 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane 2025-08-31T10:08:11,576 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane 2025-08-31T10:08:11,579 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2 2025-08-31T10:08:11,580 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2 2025-08-31T10:08:11,582 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf 2025-08-31T10:08:11,583 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf 2025-08-31T10:08:11,585 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo 2025-08-31T10:08:11,587 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo 2025-08-31T10:08:11,589 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4 2025-08-31T10:08:11,590 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4 2025-08-31T10:08:11,592 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2 2025-08-31T10:08:11,593 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2 2025-08-31T10:08:11,595 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf 2025-08-31T10:08:11,597 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf 2025-08-31T10:08:11,599 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2 2025-08-31T10:08:11,600 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2 2025-08-31T10:08:11,602 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof 2025-08-31T10:08:11,603 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof 2025-08-31T10:08:11,606 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4 2025-08-31T10:08:11,607 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4 2025-08-31T10:08:11,609 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f 2025-08-31T10:08:11,610 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f 2025-08-31T10:08:11,612 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3 2025-08-31T10:08:11,614 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3 2025-08-31T10:08:11,616 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f 2025-08-31T10:08:11,617 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f 2025-08-31T10:08:11,619 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic 2025-08-31T10:08:11,621 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic 2025-08-31T10:08:11,623 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo 2025-08-31T10:08:11,624 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo 2025-08-31T10:08:11,626 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene 2025-08-31T10:08:11,628 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene 2025-08-31T10:08:11,630 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh 2025-08-31T10:08:11,631 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh 2025-08-31T10:08:11,633 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2 2025-08-31T10:08:11,634 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2 2025-08-31T10:08:11,636 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2 2025-08-31T10:08:11,637 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2 2025-08-31T10:08:11,639 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol 2025-08-31T10:08:11,640 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol 2025-08-31T10:08:11,642 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn 2025-08-31T10:08:11,643 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn 2025-08-31T10:08:11,645 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2 2025-08-31T10:08:11,646 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2 2025-08-31T10:08:11,649 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof 2025-08-31T10:08:11,650 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof 2025-08-31T10:08:11,652 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2 2025-08-31T10:08:11,653 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2 2025-08-31T10:08:11,655 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o 2025-08-31T10:08:11,656 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o 2025-08-31T10:08:11,658 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f 2025-08-31T10:08:11,659 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f 2025-08-31T10:08:11,662 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4 2025-08-31T10:08:11,663 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4 2025-08-31T10:08:11,665 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3 2025-08-31T10:08:11,666 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3 2025-08-31T10:08:11,668 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2 2025-08-31T10:08:11,670 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2 2025-08-31T10:08:11,672 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3 2025-08-31T10:08:11,673 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3 2025-08-31T10:08:11,675 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4 2025-08-31T10:08:11,676 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4 2025-08-31T10:08:11,678 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi 2025-08-31T10:08:11,679 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi 2025-08-31T10:08:11,682 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn 2025-08-31T10:08:11,683 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn 2025-08-31T10:08:11,685 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3 2025-08-31T10:08:11,686 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3 2025-08-31T10:08:11,688 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn 2025-08-31T10:08:11,689 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn 2025-08-31T10:08:11,691 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing 2025-08-31T10:08:11,692 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing 2025-08-31T10:08:11,694 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2 2025-08-31T10:08:11,695 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2 2025-08-31T10:08:11,697 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3 2025-08-31T10:08:11,698 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3 2025-08-31T10:08:11,701 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6 2025-08-31T10:08:11,702 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6 2025-08-31T10:08:11,704 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane 2025-08-31T10:08:11,705 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane 2025-08-31T10:08:11,707 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2 2025-08-31T10:08:11,708 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2 2025-08-31T10:08:11,710 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo 2025-08-31T10:08:11,711 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo 2025-08-31T10:08:11,714 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip 2025-08-31T10:08:11,715 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip 2025-08-31T10:08:11,717 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn 2025-08-31T10:08:11,718 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn 2025-08-31T10:08:11,720 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2 2025-08-31T10:08:11,721 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2 2025-08-31T10:08:11,723 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so 2025-08-31T10:08:11,724 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so 2025-08-31T10:08:11,727 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co 2025-08-31T10:08:11,728 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co 2025-08-31T10:08:11,730 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2 2025-08-31T10:08:11,731 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2 2025-08-31T10:08:11,733 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2 2025-08-31T10:08:11,734 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2 2025-08-31T10:08:11,736 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s 2025-08-31T10:08:11,738 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s 2025-08-31T10:08:11,740 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno 2025-08-31T10:08:11,741 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno 2025-08-31T10:08:11,743 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch 2025-08-31T10:08:11,745 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch 2025-08-31T10:08:11,747 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol 2025-08-31T10:08:11,748 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol 2025-08-31T10:08:11,750 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of 2025-08-31T10:08:11,751 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of 2025-08-31T10:08:11,753 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2 2025-08-31T10:08:11,754 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2 2025-08-31T10:08:11,757 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl 2025-08-31T10:08:11,758 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl 2025-08-31T10:08:11,760 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b 2025-08-31T10:08:11,761 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b 2025-08-31T10:08:11,763 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene 2025-08-31T10:08:11,764 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene 2025-08-31T10:08:11,767 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh 2025-08-31T10:08:11,768 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh 2025-08-31T10:08:11,770 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo 2025-08-31T10:08:11,772 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo 2025-08-31T10:08:11,774 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl 2025-08-31T10:08:11,775 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl 2025-08-31T10:08:11,777 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno 2025-08-31T10:08:11,778 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno 2025-08-31T10:08:11,780 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h 2025-08-31T10:08:11,782 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h 2025-08-31T10:08:11,784 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco 2025-08-31T10:08:11,785 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco 2025-08-31T10:08:11,787 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch 2025-08-31T10:08:11,788 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch 2025-08-31T10:08:11,790 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic 2025-08-31T10:08:11,791 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic 2025-08-31T10:08:11,794 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf 2025-08-31T10:08:11,795 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf 2025-08-31T10:08:11,797 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2 2025-08-31T10:08:11,798 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2 2025-08-31T10:08:11,801 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh 2025-08-31T10:08:11,802 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh 2025-08-31T10:08:11,804 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof 2025-08-31T10:08:11,805 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof 2025-08-31T10:08:11,808 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f 2025-08-31T10:08:11,809 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f 2025-08-31T10:08:11,811 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf 2025-08-31T10:08:11,812 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf 2025-08-31T10:08:11,814 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o 2025-08-31T10:08:11,815 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o 2025-08-31T10:08:11,818 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si 2025-08-31T10:08:11,819 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si 2025-08-31T10:08:11,821 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co 2025-08-31T10:08:11,822 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co 2025-08-31T10:08:11,824 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs 2025-08-31T10:08:11,825 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs 2025-08-31T10:08:11,827 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf 2025-08-31T10:08:11,828 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf 2025-08-31T10:08:11,830 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2 2025-08-31T10:08:11,832 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2 2025-08-31T10:08:11,834 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio 2025-08-31T10:08:11,835 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio 2025-08-31T10:08:11,837 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3 2025-08-31T10:08:11,838 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3 2025-08-31T10:08:11,841 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2 2025-08-31T10:08:11,842 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2 2025-08-31T10:08:11,844 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl 2025-08-31T10:08:11,845 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl 2025-08-31T10:08:11,847 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h 2025-08-31T10:08:11,849 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h 2025-08-31T10:08:11,851 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6 2025-08-31T10:08:11,852 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6 2025-08-31T10:08:11,855 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn 2025-08-31T10:08:11,856 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn 2025-08-31T10:08:11,858 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih 2025-08-31T10:08:11,859 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih 2025-08-31T10:08:11,862 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3 2025-08-31T10:08:11,863 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3 2025-08-31T10:08:11,865 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh 2025-08-31T10:08:11,866 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh 2025-08-31T10:08:11,868 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene 2025-08-31T10:08:11,869 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene 2025-08-31T10:08:11,871 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3 2025-08-31T10:08:11,872 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3 2025-08-31T10:08:11,875 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co 2025-08-31T10:08:11,876 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co 2025-08-31T10:08:11,878 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f 2025-08-31T10:08:11,879 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f 2025-08-31T10:08:11,881 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane 2025-08-31T10:08:11,882 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane 2025-08-31T10:08:11,884 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo 2025-08-31T10:08:11,885 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo 2025-08-31T10:08:11,888 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3 2025-08-31T10:08:11,889 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3 2025-08-31T10:08:11,891 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh 2025-08-31T10:08:11,892 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh 2025-08-31T10:08:11,895 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne 2025-08-31T10:08:11,896 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne 2025-08-31T10:08:11,898 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo 2025-08-31T10:08:11,900 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo 2025-08-31T10:08:11,902 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2 2025-08-31T10:08:11,903 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2 2025-08-31T10:08:11,906 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2 2025-08-31T10:08:11,907 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2 2025-08-31T10:08:11,909 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v 2025-08-31T10:08:11,910 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v 2025-08-31T10:08:11,913 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh 2025-08-31T10:08:11,914 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh 2025-08-31T10:08:11,916 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl 2025-08-31T10:08:11,917 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl 2025-08-31T10:08:11,920 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono 2025-08-31T10:08:11,921 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono 2025-08-31T10:08:11,923 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2 2025-08-31T10:08:11,924 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2 2025-08-31T10:08:11,927 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B 2025-08-31T10:08:11,929 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B 2025-08-31T10:08:11,931 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227 2025-08-31T10:08:11,932 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227 2025-08-31T10:08:11,934 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147 2025-08-31T10:08:11,935 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147 2025-08-31T10:08:11,937 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B 2025-08-31T10:08:11,938 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B 2025-08-31T10:08:11,941 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A 2025-08-31T10:08:11,942 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A 2025-08-31T10:08:11,944 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150 2025-08-31T10:08:11,945 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150 2025-08-31T10:08:11,947 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B 2025-08-31T10:08:11,948 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B 2025-08-31T10:08:11,951 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A 2025-08-31T10:08:11,952 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A 2025-08-31T10:08:11,954 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B 2025-08-31T10:08:11,955 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B 2025-08-31T10:08:11,957 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A 2025-08-31T10:08:11,958 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A 2025-08-31T10:08:11,960 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A 2025-08-31T10:08:11,961 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A 2025-08-31T10:08:11,964 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B 2025-08-31T10:08:11,965 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B 2025-08-31T10:08:11,967 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A 2025-08-31T10:08:11,968 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A 2025-08-31T10:08:11,970 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B 2025-08-31T10:08:11,972 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B 2025-08-31T10:08:11,974 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187 2025-08-31T10:08:11,975 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187 2025-08-31T10:08:11,977 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229 2025-08-31T10:08:11,978 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229 2025-08-31T10:08:11,981 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A 2025-08-31T10:08:11,982 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A 2025-08-31T10:08:11,984 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B 2025-08-31T10:08:11,986 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B 2025-08-31T10:08:11,988 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152 2025-08-31T10:08:11,989 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152 2025-08-31T10:08:11,991 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148 2025-08-31T10:08:11,992 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148 2025-08-31T10:08:11,995 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A 2025-08-31T10:08:11,996 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A 2025-08-31T10:08:11,998 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B 2025-08-31T10:08:11,999 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B 2025-08-31T10:08:12,001 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212 2025-08-31T10:08:12,002 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212 2025-08-31T10:08:12,004 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B 2025-08-31T10:08:12,005 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B 2025-08-31T10:08:12,008 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B 2025-08-31T10:08:12,009 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B 2025-08-31T10:08:12,011 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A 2025-08-31T10:08:12,012 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A 2025-08-31T10:08:12,014 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228 2025-08-31T10:08:12,015 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228 2025-08-31T10:08:12,017 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144 2025-08-31T10:08:12,018 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144 2025-08-31T10:08:12,020 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A 2025-08-31T10:08:12,021 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A 2025-08-31T10:08:12,024 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B 2025-08-31T10:08:12,025 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B 2025-08-31T10:08:12,027 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A 2025-08-31T10:08:12,028 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A 2025-08-31T10:08:12,030 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231 2025-08-31T10:08:12,031 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231 2025-08-31T10:08:12,033 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A 2025-08-31T10:08:12,035 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A 2025-08-31T10:08:12,037 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A 2025-08-31T10:08:12,038 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A 2025-08-31T10:08:12,040 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008 2025-08-31T10:08:12,041 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008 2025-08-31T10:08:12,043 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B 2025-08-31T10:08:12,045 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B 2025-08-31T10:08:12,047 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B 2025-08-31T10:08:12,048 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B 2025-08-31T10:08:12,050 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A 2025-08-31T10:08:12,051 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A 2025-08-31T10:08:12,053 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230 2025-08-31T10:08:12,054 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230 2025-08-31T10:08:12,056 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A 2025-08-31T10:08:12,058 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A 2025-08-31T10:08:12,060 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A 2025-08-31T10:08:12,061 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A 2025-08-31T10:08:12,063 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A 2025-08-31T10:08:12,064 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A 2025-08-31T10:08:12,066 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B 2025-08-31T10:08:12,067 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B 2025-08-31T10:08:12,070 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B 2025-08-31T10:08:12,071 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B 2025-08-31T10:08:12,073 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202 2025-08-31T10:08:12,074 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202 2025-08-31T10:08:12,076 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213 2025-08-31T10:08:12,077 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213 2025-08-31T10:08:12,079 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214 2025-08-31T10:08:12,081 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214 2025-08-31T10:08:12,083 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B 2025-08-31T10:08:12,084 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B 2025-08-31T10:08:12,086 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3 2025-08-31T10:08:12,088 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3 2025-08-31T10:08:12,090 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22 2025-08-31T10:08:12,092 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22 2025-08-31T10:08:12,094 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3 2025-08-31T10:08:12,095 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3 2025-08-31T10:08:12,097 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22 2025-08-31T10:08:12,099 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22 2025-08-31T10:08:12,101 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3 2025-08-31T10:08:12,102 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3 2025-08-31T10:08:12,104 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2 2025-08-31T10:08:12,106 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2 2025-08-31T10:08:12,108 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2 2025-08-31T10:08:12,109 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2 2025-08-31T10:08:12,111 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2 2025-08-31T10:08:12,112 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2 2025-08-31T10:08:12,114 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2 2025-08-31T10:08:12,115 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2 2025-08-31T10:08:12,118 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22 2025-08-31T10:08:12,119 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22 2025-08-31T10:08:12,121 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2 2025-08-31T10:08:12,122 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2 2025-08-31T10:08:12,124 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s 2025-08-31T10:08:12,125 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s 2025-08-31T10:08:12,128 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22 2025-08-31T10:08:12,129 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22 2025-08-31T10:08:12,131 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s 2025-08-31T10:08:12,132 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s 2025-08-31T10:08:12,134 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2 2025-08-31T10:08:12,135 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2 2025-08-31T10:08:12,137 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22 2025-08-31T10:08:12,139 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22 2025-08-31T10:08:12,141 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22 2025-08-31T10:08:12,142 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22 2025-08-31T10:08:12,144 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3 2025-08-31T10:08:12,145 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3 2025-08-31T10:08:12,147 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22 2025-08-31T10:08:12,148 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22 2025-08-31T10:08:12,151 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2 2025-08-31T10:08:12,152 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2 2025-08-31T10:08:12,154 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2 2025-08-31T10:08:12,157 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2 2025-08-31T10:08:12,159 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s 2025-08-31T10:08:12,160 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s 2025-08-31T10:08:12,163 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3 2025-08-31T10:08:12,164 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3 2025-08-31T10:08:12,166 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22 2025-08-31T10:08:12,167 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22 2025-08-31T10:08:12,169 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22 2025-08-31T10:08:12,170 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22 2025-08-31T10:08:12,172 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2 2025-08-31T10:08:12,174 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2 2025-08-31T10:08:12,176 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3 2025-08-31T10:08:12,177 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3 2025-08-31T10:08:12,179 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2 2025-08-31T10:08:12,181 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2 2025-08-31T10:08:12,183 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22 2025-08-31T10:08:12,184 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22 2025-08-31T10:08:12,186 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3 2025-08-31T10:08:12,188 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3 2025-08-31T10:08:12,190 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2 2025-08-31T10:08:12,191 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2 2025-08-31T10:08:12,193 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh 2025-08-31T10:08:12,194 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh 2025-08-31T10:08:12,197 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2 2025-08-31T10:08:12,198 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2 2025-08-31T10:08:12,200 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6 2025-08-31T10:08:12,201 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6 2025-08-31T10:08:12,203 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2 2025-08-31T10:08:12,204 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2 2025-08-31T10:08:12,206 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4 2025-08-31T10:08:12,207 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4 2025-08-31T10:08:12,210 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme 2025-08-31T10:08:12,211 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme 2025-08-31T10:08:12,213 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2 2025-08-31T10:08:12,214 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2 2025-08-31T10:08:12,217 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2 2025-08-31T10:08:12,218 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2 2025-08-31T10:08:12,220 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6 2025-08-31T10:08:12,221 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6 2025-08-31T10:08:12,223 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3 2025-08-31T10:08:12,224 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3 2025-08-31T10:08:12,226 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br 2025-08-31T10:08:12,227 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br 2025-08-31T10:08:12,229 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4 2025-08-31T10:08:12,230 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4 2025-08-31T10:08:12,233 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl 2025-08-31T10:08:12,234 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl 2025-08-31T10:08:12,236 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4 2025-08-31T10:08:12,237 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4 2025-08-31T10:08:12,239 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3 2025-08-31T10:08:12,240 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3 2025-08-31T10:08:12,242 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6 2025-08-31T10:08:12,243 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6 2025-08-31T10:08:12,246 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2 2025-08-31T10:08:12,247 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2 2025-08-31T10:08:12,249 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2 2025-08-31T10:08:12,250 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2 2025-08-31T10:08:12,252 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2 2025-08-31T10:08:12,253 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2 2025-08-31T10:08:12,256 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh 2025-08-31T10:08:12,257 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh 2025-08-31T10:08:12,259 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1 2025-08-31T10:08:12,261 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1 2025-08-31T10:08:12,263 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14 2025-08-31T10:08:12,264 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14 2025-08-31T10:08:12,266 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4 2025-08-31T10:08:12,268 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4 2025-08-31T10:08:12,270 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16 2025-08-31T10:08:12,271 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16 2025-08-31T10:08:12,274 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11 2025-08-31T10:08:12,275 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11 2025-08-31T10:08:12,277 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1 2025-08-31T10:08:12,278 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1 2025-08-31T10:08:12,280 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7 2025-08-31T10:08:12,281 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7 2025-08-31T10:08:12,284 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9 2025-08-31T10:08:12,285 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9 2025-08-31T10:08:12,287 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15 2025-08-31T10:08:12,288 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15 2025-08-31T10:08:12,290 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9 2025-08-31T10:08:12,291 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9 2025-08-31T10:08:12,294 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3 2025-08-31T10:08:12,295 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3 2025-08-31T10:08:12,297 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15 2025-08-31T10:08:12,298 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15 2025-08-31T10:08:12,300 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13 2025-08-31T10:08:12,301 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13 2025-08-31T10:08:12,304 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4 2025-08-31T10:08:12,305 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4 2025-08-31T10:08:12,307 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12 2025-08-31T10:08:12,308 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12 2025-08-31T10:08:12,310 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8 2025-08-31T10:08:12,311 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8 2025-08-31T10:08:12,314 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6 2025-08-31T10:08:12,315 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6 2025-08-31T10:08:12,317 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2 2025-08-31T10:08:12,319 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2 2025-08-31T10:08:12,321 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4 2025-08-31T10:08:12,323 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4 2025-08-31T10:08:12,326 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1 2025-08-31T10:08:12,327 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1 2025-08-31T10:08:12,330 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14 2025-08-31T10:08:12,331 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14 2025-08-31T10:08:12,333 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10 2025-08-31T10:08:12,334 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10 2025-08-31T10:08:12,337 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3 2025-08-31T10:08:12,338 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3 2025-08-31T10:08:12,340 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3 2025-08-31T10:08:12,341 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3 2025-08-31T10:08:12,344 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13 2025-08-31T10:08:12,345 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13 2025-08-31T10:08:12,347 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4 2025-08-31T10:08:12,348 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4 2025-08-31T10:08:12,350 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7 2025-08-31T10:08:12,351 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7 2025-08-31T10:08:12,353 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5 2025-08-31T10:08:12,354 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5 2025-08-31T10:08:12,356 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5 2025-08-31T10:08:12,357 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5 2025-08-31T10:08:12,360 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11 2025-08-31T10:08:12,361 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11 2025-08-31T10:08:12,363 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8 2025-08-31T10:08:12,364 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8 2025-08-31T10:08:12,366 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6 2025-08-31T10:08:12,367 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6 2025-08-31T10:08:12,369 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10 2025-08-31T10:08:12,370 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10 2025-08-31T10:08:12,372 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2 2025-08-31T10:08:12,374 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2 2025-08-31T10:08:12,376 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5 2025-08-31T10:08:12,377 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5 2025-08-31T10:08:12,379 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12 2025-08-31T10:08:12,380 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12 2025-08-31T10:08:12,382 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6 2025-08-31T10:08:12,384 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6 2025-08-31T10:08:12,386 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2 2025-08-31T10:08:12,387 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2 2025-08-31T10:08:12,389 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8 2025-08-31T10:08:12,391 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8 2025-08-31T10:08:12,393 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h 2025-08-31T10:08:12,394 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h 2025-08-31T10:08:12,397 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4 2025-08-31T10:08:12,398 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4 2025-08-31T10:08:12,400 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+ 2025-08-31T10:08:12,401 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+ 2025-08-31T10:08:12,403 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4 2025-08-31T10:08:12,404 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4 2025-08-31T10:08:12,406 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2 2025-08-31T10:08:12,410 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2 2025-08-31T10:08:12,412 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me 2025-08-31T10:08:12,413 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me 2025-08-31T10:08:12,415 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2 2025-08-31T10:08:12,416 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2 2025-08-31T10:08:12,419 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+ 2025-08-31T10:08:12,420 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+ 2025-08-31T10:08:12,422 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2 2025-08-31T10:08:12,423 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2 2025-08-31T10:08:12,425 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c 2025-08-31T10:08:12,426 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c 2025-08-31T10:08:12,429 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2 2025-08-31T10:08:12,430 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2 2025-08-31T10:08:12,432 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch 2025-08-31T10:08:12,434 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch 2025-08-31T10:08:12,436 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n 2025-08-31T10:08:12,437 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n 2025-08-31T10:08:12,440 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2 2025-08-31T10:08:12,441 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2 2025-08-31T10:08:12,443 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me 2025-08-31T10:08:12,445 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me 2025-08-31T10:08:12,447 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8 2025-08-31T10:08:12,449 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8 2025-08-31T10:08:12,451 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o 2025-08-31T10:08:12,453 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o 2025-08-31T10:08:12,455 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4 2025-08-31T10:08:12,457 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4 2025-08-31T10:08:12,459 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1 2025-08-31T10:08:12,460 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1 2025-08-31T10:08:12,462 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o 2025-08-31T10:08:12,463 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o 2025-08-31T10:08:12,466 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4 2025-08-31T10:08:12,467 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4 2025-08-31T10:08:12,469 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o 2025-08-31T10:08:12,470 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o 2025-08-31T10:08:12,472 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3 2025-08-31T10:08:12,473 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3 2025-08-31T10:08:12,476 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o 2025-08-31T10:08:12,477 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o 2025-08-31T10:08:12,479 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o 2025-08-31T10:08:12,480 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o 2025-08-31T10:08:12,482 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8 2025-08-31T10:08:12,483 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8 2025-08-31T10:08:12,486 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1 2025-08-31T10:08:12,487 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1 2025-08-31T10:08:12,489 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9 2025-08-31T10:08:12,490 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9 2025-08-31T10:08:12,493 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o 2025-08-31T10:08:12,494 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o 2025-08-31T10:08:12,496 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5 2025-08-31T10:08:12,497 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5 2025-08-31T10:08:12,499 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2 2025-08-31T10:08:12,500 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2 2025-08-31T10:08:12,502 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7 2025-08-31T10:08:12,504 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7 2025-08-31T10:08:12,506 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6 2025-08-31T10:08:12,507 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6 2025-08-31T10:08:12,509 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o 2025-08-31T10:08:12,510 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o 2025-08-31T10:08:12,512 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o 2025-08-31T10:08:12,513 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o 2025-08-31T10:08:12,516 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3 2025-08-31T10:08:12,517 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3 2025-08-31T10:08:12,519 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o 2025-08-31T10:08:12,520 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o 2025-08-31T10:08:12,522 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6 2025-08-31T10:08:12,523 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6 2025-08-31T10:08:12,525 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o 2025-08-31T10:08:12,526 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o 2025-08-31T10:08:12,528 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2 2025-08-31T10:08:12,529 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2 2025-08-31T10:08:12,532 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8 2025-08-31T10:08:12,533 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8 2025-08-31T10:08:12,535 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9 2025-08-31T10:08:12,536 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9 2025-08-31T10:08:12,538 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5 2025-08-31T10:08:12,539 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5 2025-08-31T10:08:12,541 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7 2025-08-31T10:08:12,542 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7 2025-08-31T10:08:12,545 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02 2025-08-31T10:08:12,546 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02 2025-08-31T10:08:12,549 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23 2025-08-31T10:08:12,550 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23 2025-08-31T10:08:12,553 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08 2025-08-31T10:08:12,554 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08 2025-08-31T10:08:12,556 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2 2025-08-31T10:08:12,557 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2 2025-08-31T10:08:12,559 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30 2025-08-31T10:08:12,561 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30 2025-08-31T10:08:12,563 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2 2025-08-31T10:08:12,564 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2 2025-08-31T10:08:12,566 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29 2025-08-31T10:08:12,567 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29 2025-08-31T10:08:12,569 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06 2025-08-31T10:08:12,570 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06 2025-08-31T10:08:12,572 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3 2025-08-31T10:08:12,574 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3 2025-08-31T10:08:12,576 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2 2025-08-31T10:08:12,577 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2 2025-08-31T10:08:12,579 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42 2025-08-31T10:08:12,580 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42 2025-08-31T10:08:12,582 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10 2025-08-31T10:08:12,584 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10 2025-08-31T10:08:12,586 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34 2025-08-31T10:08:12,587 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34 2025-08-31T10:08:12,589 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2 2025-08-31T10:08:12,590 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2 2025-08-31T10:08:12,592 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22 2025-08-31T10:08:12,593 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22 2025-08-31T10:08:12,596 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18 2025-08-31T10:08:12,597 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18 2025-08-31T10:08:12,599 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16 2025-08-31T10:08:12,600 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16 2025-08-31T10:08:12,602 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04 2025-08-31T10:08:12,603 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04 2025-08-31T10:08:12,605 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37 2025-08-31T10:08:12,606 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37 2025-08-31T10:08:12,608 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40 2025-08-31T10:08:12,610 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40 2025-08-31T10:08:12,612 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09 2025-08-31T10:08:12,613 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09 2025-08-31T10:08:12,616 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28 2025-08-31T10:08:12,617 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28 2025-08-31T10:08:12,620 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36 2025-08-31T10:08:12,621 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36 2025-08-31T10:08:12,624 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21 2025-08-31T10:08:12,625 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21 2025-08-31T10:08:12,628 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13 2025-08-31T10:08:12,630 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13 2025-08-31T10:08:12,633 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4 2025-08-31T10:08:12,634 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4 2025-08-31T10:08:12,637 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25 2025-08-31T10:08:12,638 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25 2025-08-31T10:08:12,641 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32 2025-08-31T10:08:12,642 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32 2025-08-31T10:08:12,645 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41 2025-08-31T10:08:12,646 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41 2025-08-31T10:08:12,649 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14 2025-08-31T10:08:12,651 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14 2025-08-31T10:08:12,653 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15 2025-08-31T10:08:12,655 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15 2025-08-31T10:08:12,658 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2 2025-08-31T10:08:12,659 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2 2025-08-31T10:08:12,662 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38 2025-08-31T10:08:12,663 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38 2025-08-31T10:08:12,666 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24 2025-08-31T10:08:12,667 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24 2025-08-31T10:08:12,670 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19 2025-08-31T10:08:12,671 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19 2025-08-31T10:08:12,674 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01 2025-08-31T10:08:12,675 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01 2025-08-31T10:08:12,678 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2 2025-08-31T10:08:12,679 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2 2025-08-31T10:08:12,682 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31 2025-08-31T10:08:12,683 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31 2025-08-31T10:08:12,686 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4 2025-08-31T10:08:12,687 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4 2025-08-31T10:08:12,690 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26 2025-08-31T10:08:12,691 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26 2025-08-31T10:08:12,694 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03 2025-08-31T10:08:12,695 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03 2025-08-31T10:08:12,698 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20 2025-08-31T10:08:12,700 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20 2025-08-31T10:08:12,702 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43 2025-08-31T10:08:12,704 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43 2025-08-31T10:08:12,707 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH 2025-08-31T10:08:12,708 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH 2025-08-31T10:08:12,711 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33 2025-08-31T10:08:12,712 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33 2025-08-31T10:08:12,715 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12 2025-08-31T10:08:12,717 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12 2025-08-31T10:08:12,720 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17 2025-08-31T10:08:12,721 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17 2025-08-31T10:08:12,724 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH 2025-08-31T10:08:12,725 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH 2025-08-31T10:08:12,728 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35 2025-08-31T10:08:12,730 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35 2025-08-31T10:08:12,733 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2 2025-08-31T10:08:12,735 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2 2025-08-31T10:08:12,739 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39 2025-08-31T10:08:12,741 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39 2025-08-31T10:08:12,746 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2 2025-08-31T10:08:12,747 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2 2025-08-31T10:08:12,749 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05 2025-08-31T10:08:12,750 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05 2025-08-31T10:08:12,752 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3 2025-08-31T10:08:12,753 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3 2025-08-31T10:08:12,755 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2 2025-08-31T10:08:12,756 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2 2025-08-31T10:08:12,759 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07 2025-08-31T10:08:12,760 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07 2025-08-31T10:08:12,762 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11 2025-08-31T10:08:12,763 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11 2025-08-31T10:08:12,765 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27 2025-08-31T10:08:12,766 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27 2025-08-31T10:08:12,768 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3 2025-08-31T10:08:12,770 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3 2025-08-31T10:08:12,772 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar 2025-08-31T10:08:12,773 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar 2025-08-31T10:08:12,775 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2 2025-08-31T10:08:12,776 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2 2025-08-31T10:08:12,778 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr 2025-08-31T10:08:12,779 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr 2025-08-31T10:08:12,781 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr 2025-08-31T10:08:12,782 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr 2025-08-31T10:08:12,785 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2 2025-08-31T10:08:12,786 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2 2025-08-31T10:08:12,788 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar 2025-08-31T10:08:12,789 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar 2025-08-31T10:08:12,791 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2 2025-08-31T10:08:12,792 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2 2025-08-31T10:08:12,794 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf 2025-08-31T10:08:12,795 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf 2025-08-31T10:08:12,797 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne 2025-08-31T10:08:12,798 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne 2025-08-31T10:08:12,800 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3 2025-08-31T10:08:12,801 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3 2025-08-31T10:08:12,804 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr 2025-08-31T10:08:12,805 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr 2025-08-31T10:08:12,807 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne 2025-08-31T10:08:12,808 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne 2025-08-31T10:08:12,810 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4 2025-08-31T10:08:12,811 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4 2025-08-31T10:08:12,813 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz 2025-08-31T10:08:12,814 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz 2025-08-31T10:08:12,816 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4 2025-08-31T10:08:12,817 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4 2025-08-31T10:08:12,819 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe 2025-08-31T10:08:12,820 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe 2025-08-31T10:08:12,822 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2 2025-08-31T10:08:12,824 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2 2025-08-31T10:08:12,826 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6 2025-08-31T10:08:12,827 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6 2025-08-31T10:08:12,829 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe 2025-08-31T10:08:12,830 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe 2025-08-31T10:08:12,832 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3 2025-08-31T10:08:12,834 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3 2025-08-31T10:08:12,836 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr 2025-08-31T10:08:12,837 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr 2025-08-31T10:08:12,839 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6 2025-08-31T10:08:12,840 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6 2025-08-31T10:08:12,842 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne 2025-08-31T10:08:12,844 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne 2025-08-31T10:08:12,846 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar 2025-08-31T10:08:12,847 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar 2025-08-31T10:08:12,849 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr 2025-08-31T10:08:12,851 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr 2025-08-31T10:08:12,853 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4 2025-08-31T10:08:12,854 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4 2025-08-31T10:08:12,856 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3 2025-08-31T10:08:12,857 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3 2025-08-31T10:08:12,859 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o 2025-08-31T10:08:12,860 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o 2025-08-31T10:08:12,862 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3 2025-08-31T10:08:12,863 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3 2025-08-31T10:08:12,865 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2 2025-08-31T10:08:12,866 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2 2025-08-31T10:08:12,868 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl 2025-08-31T10:08:12,869 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl 2025-08-31T10:08:12,871 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o 2025-08-31T10:08:12,872 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o 2025-08-31T10:08:12,875 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi 2025-08-31T10:08:12,876 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi 2025-08-31T10:08:12,878 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3 2025-08-31T10:08:12,879 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3 2025-08-31T10:08:12,881 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3 2025-08-31T10:08:12,883 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3 2025-08-31T10:08:12,885 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi 2025-08-31T10:08:12,886 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi 2025-08-31T10:08:12,888 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o 2025-08-31T10:08:12,889 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o 2025-08-31T10:08:12,892 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr 2025-08-31T10:08:12,893 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr 2025-08-31T10:08:12,895 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2 2025-08-31T10:08:12,897 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2 2025-08-31T10:08:12,899 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi 2025-08-31T10:08:12,900 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi 2025-08-31T10:08:12,902 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s 2025-08-31T10:08:12,904 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s 2025-08-31T10:08:12,906 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s 2025-08-31T10:08:12,907 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s 2025-08-31T10:08:12,909 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr 2025-08-31T10:08:12,910 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr 2025-08-31T10:08:12,912 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr 2025-08-31T10:08:12,913 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr 2025-08-31T10:08:12,915 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2 2025-08-31T10:08:12,916 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2 2025-08-31T10:08:12,918 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi 2025-08-31T10:08:12,920 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi 2025-08-31T10:08:12,922 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl 2025-08-31T10:08:12,923 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl 2025-08-31T10:08:12,925 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s 2025-08-31T10:08:12,926 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s 2025-08-31T10:08:12,928 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3 2025-08-31T10:08:12,929 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3 2025-08-31T10:08:12,931 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2 2025-08-31T10:08:12,932 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2 2025-08-31T10:08:12,935 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2 2025-08-31T10:08:12,936 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2 2025-08-31T10:08:12,938 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3 2025-08-31T10:08:12,939 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3 2025-08-31T10:08:12,941 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl 2025-08-31T10:08:12,942 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl 2025-08-31T10:08:12,945 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi 2025-08-31T10:08:12,946 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi 2025-08-31T10:08:12,948 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr 2025-08-31T10:08:12,949 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr 2025-08-31T10:08:12,951 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o 2025-08-31T10:08:12,953 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o 2025-08-31T10:08:12,955 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o 2025-08-31T10:08:12,956 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o 2025-08-31T10:08:12,958 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s 2025-08-31T10:08:12,959 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s 2025-08-31T10:08:12,961 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl 2025-08-31T10:08:12,962 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl 2025-08-31T10:08:12,965 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl 2025-08-31T10:08:12,966 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl 2025-08-31T10:08:12,968 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3 2025-08-31T10:08:12,970 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3 2025-08-31T10:08:12,972 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2 2025-08-31T10:08:12,973 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2 2025-08-31T10:08:12,975 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3 2025-08-31T10:08:12,977 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3 2025-08-31T10:08:12,979 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2 2025-08-31T10:08:12,980 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2 2025-08-31T10:08:12,982 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2 2025-08-31T10:08:12,983 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2 2025-08-31T10:08:12,985 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1 2025-08-31T10:08:12,986 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1 2025-08-31T10:08:12,988 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1 2025-08-31T10:08:12,990 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1 2025-08-31T10:08:12,992 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1 2025-08-31T10:08:12,993 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1 2025-08-31T10:08:12,995 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3 2025-08-31T10:08:12,996 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3 2025-08-31T10:08:12,998 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1 2025-08-31T10:08:13,000 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1 2025-08-31T10:08:13,002 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2 2025-08-31T10:08:13,003 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2 2025-08-31T10:08:13,006 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3 2025-08-31T10:08:13,007 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3 2025-08-31T10:08:13,009 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2 2025-08-31T10:08:13,010 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2 2025-08-31T10:08:13,013 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2 2025-08-31T10:08:13,014 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2 2025-08-31T10:08:13,016 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2 2025-08-31T10:08:13,017 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2 2025-08-31T10:08:13,019 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4 2025-08-31T10:08:13,020 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4 2025-08-31T10:08:13,022 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1 2025-08-31T10:08:13,023 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1 2025-08-31T10:08:13,025 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2 2025-08-31T10:08:13,026 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2 2025-08-31T10:08:13,028 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2 2025-08-31T10:08:13,029 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2 2025-08-31T10:08:13,031 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3 2025-08-31T10:08:13,032 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3 2025-08-31T10:08:13,034 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1 2025-08-31T10:08:13,036 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1 2025-08-31T10:08:13,038 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4 2025-08-31T10:08:13,039 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4 2025-08-31T10:08:13,041 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1 2025-08-31T10:08:13,042 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1 2025-08-31T10:08:13,045 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1 2025-08-31T10:08:13,046 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1 2025-08-31T10:08:13,048 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3 2025-08-31T10:08:13,049 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3 2025-08-31T10:08:13,051 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2 2025-08-31T10:08:13,053 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2 2025-08-31T10:08:13,055 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2 2025-08-31T10:08:13,056 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2 2025-08-31T10:08:13,058 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1 2025-08-31T10:08:13,059 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1 2025-08-31T10:08:13,062 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1 2025-08-31T10:08:13,063 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1 2025-08-31T10:08:13,065 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p 2025-08-31T10:08:13,066 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p 2025-08-31T10:08:13,069 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e 2025-08-31T10:08:13,070 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e 2025-08-31T10:08:13,072 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e 2025-08-31T10:08:13,074 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e 2025-08-31T10:08:13,076 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p 2025-08-31T10:08:13,077 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p 2025-08-31T10:08:13,079 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e 2025-08-31T10:08:13,080 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e 2025-08-31T10:08:13,082 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p 2025-08-31T10:08:13,083 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p 2025-08-31T10:08:13,086 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e 2025-08-31T10:08:13,087 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e 2025-08-31T10:08:13,089 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e 2025-08-31T10:08:13,090 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e 2025-08-31T10:08:13,092 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p 2025-08-31T10:08:13,093 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p 2025-08-31T10:08:13,095 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e 2025-08-31T10:08:13,097 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e 2025-08-31T10:08:13,099 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p 2025-08-31T10:08:13,100 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p 2025-08-31T10:08:13,102 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p 2025-08-31T10:08:13,103 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p 2025-08-31T10:08:13,106 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p 2025-08-31T10:08:13,107 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p 2025-08-31T10:08:13,109 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e 2025-08-31T10:08:13,110 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e 2025-08-31T10:08:13,112 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e 2025-08-31T10:08:13,114 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e 2025-08-31T10:08:13,116 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p 2025-08-31T10:08:13,117 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p 2025-08-31T10:08:13,119 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e 2025-08-31T10:08:13,121 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e 2025-08-31T10:08:13,123 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p 2025-08-31T10:08:13,124 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p 2025-08-31T10:08:13,127 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e 2025-08-31T10:08:13,128 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e 2025-08-31T10:08:13,130 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e 2025-08-31T10:08:13,131 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e 2025-08-31T10:08:13,133 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e 2025-08-31T10:08:13,134 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e 2025-08-31T10:08:13,137 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e 2025-08-31T10:08:13,138 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e 2025-08-31T10:08:13,141 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e 2025-08-31T10:08:13,142 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e 2025-08-31T10:08:13,144 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e 2025-08-31T10:08:13,145 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e 2025-08-31T10:08:13,147 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e 2025-08-31T10:08:13,148 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e 2025-08-31T10:08:13,151 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p 2025-08-31T10:08:13,152 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p 2025-08-31T10:08:13,154 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e 2025-08-31T10:08:13,155 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e 2025-08-31T10:08:13,157 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p 2025-08-31T10:08:13,159 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p 2025-08-31T10:08:13,161 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p 2025-08-31T10:08:13,162 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p 2025-08-31T10:08:13,165 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p 2025-08-31T10:08:13,166 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p 2025-08-31T10:08:13,168 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e 2025-08-31T10:08:13,169 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e 2025-08-31T10:08:13,172 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p 2025-08-31T10:08:13,173 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p 2025-08-31T10:08:13,175 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p 2025-08-31T10:08:13,176 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p 2025-08-31T10:08:13,179 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p 2025-08-31T10:08:13,180 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p 2025-08-31T10:08:13,182 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e 2025-08-31T10:08:13,183 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e 2025-08-31T10:08:13,186 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p 2025-08-31T10:08:13,187 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p 2025-08-31T10:08:13,189 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e 2025-08-31T10:08:13,190 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e 2025-08-31T10:08:13,193 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p 2025-08-31T10:08:13,194 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p 2025-08-31T10:08:13,196 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p 2025-08-31T10:08:13,197 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p 2025-08-31T10:08:13,199 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p 2025-08-31T10:08:13,200 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p 2025-08-31T10:08:13,202 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p 2025-08-31T10:08:13,203 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p 2025-08-31T10:08:13,205 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e 2025-08-31T10:08:13,206 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e 2025-08-31T10:08:13,209 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p 2025-08-31T10:08:13,210 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p 2025-08-31T10:08:13,212 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e 2025-08-31T10:08:13,213 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e 2025-08-31T10:08:13,216 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p 2025-08-31T10:08:13,217 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p 2025-08-31T10:08:13,219 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p 2025-08-31T10:08:13,220 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p 2025-08-31T10:08:13,222 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e 2025-08-31T10:08:13,223 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e 2025-08-31T10:08:13,226 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e 2025-08-31T10:08:13,227 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e 2025-08-31T10:08:13,229 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23 2025-08-31T10:08:13,231 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23 2025-08-31T10:08:13,234 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A 2025-08-31T10:08:13,235 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A 2025-08-31T10:08:13,237 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A 2025-08-31T10:08:13,238 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A 2025-08-31T10:08:13,240 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22 2025-08-31T10:08:13,241 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22 2025-08-31T10:08:13,243 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A 2025-08-31T10:08:13,244 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A 2025-08-31T10:08:13,246 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B 2025-08-31T10:08:13,247 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B 2025-08-31T10:08:13,249 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25 2025-08-31T10:08:13,251 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25 2025-08-31T10:08:13,253 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A 2025-08-31T10:08:13,254 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A 2025-08-31T10:08:13,256 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24 2025-08-31T10:08:13,257 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24 2025-08-31T10:08:13,259 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B 2025-08-31T10:08:13,260 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B 2025-08-31T10:08:13,262 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26 2025-08-31T10:08:13,264 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26 2025-08-31T10:08:13,266 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A 2025-08-31T10:08:13,267 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A 2025-08-31T10:08:13,269 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B 2025-08-31T10:08:13,270 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B 2025-08-31T10:08:13,272 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B 2025-08-31T10:08:13,273 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B 2025-08-31T10:08:13,275 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A 2025-08-31T10:08:13,277 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A 2025-08-31T10:08:13,279 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B 2025-08-31T10:08:13,280 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B 2025-08-31T10:08:13,282 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B 2025-08-31T10:08:13,283 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B 2025-08-31T10:08:13,286 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27 2025-08-31T10:08:13,287 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27 2025-08-31T10:08:13,289 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F 2025-08-31T10:08:13,291 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F 2025-08-31T10:08:13,293 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3 2025-08-31T10:08:13,294 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3 2025-08-31T10:08:13,296 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H 2025-08-31T10:08:13,297 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H 2025-08-31T10:08:13,300 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3 2025-08-31T10:08:13,301 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3 2025-08-31T10:08:13,303 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3 2025-08-31T10:08:13,304 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3 2025-08-31T10:08:13,306 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2 2025-08-31T10:08:13,307 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2 2025-08-31T10:08:13,310 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2 2025-08-31T10:08:13,311 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2 2025-08-31T10:08:13,313 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz 2025-08-31T10:08:13,314 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz 2025-08-31T10:08:13,317 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3 2025-08-31T10:08:13,318 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3 2025-08-31T10:08:13,320 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut 2025-08-31T10:08:13,321 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut 2025-08-31T10:08:13,323 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3 2025-08-31T10:08:13,324 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3 2025-08-31T10:08:13,326 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3 2025-08-31T10:08:13,327 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3 2025-08-31T10:08:13,330 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch 2025-08-31T10:08:13,331 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch 2025-08-31T10:08:13,333 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3 2025-08-31T10:08:13,334 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3 2025-08-31T10:08:13,336 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh 2025-08-31T10:08:13,337 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh 2025-08-31T10:08:13,339 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3 2025-08-31T10:08:13,341 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3 2025-08-31T10:08:13,343 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl 2025-08-31T10:08:13,344 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl 2025-08-31T10:08:13,347 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3 2025-08-31T10:08:13,348 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3 2025-08-31T10:08:13,350 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3 2025-08-31T10:08:13,351 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3 2025-08-31T10:08:13,354 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3 2025-08-31T10:08:13,355 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3 2025-08-31T10:08:13,357 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2 2025-08-31T10:08:13,358 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2 2025-08-31T10:08:13,360 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5 2025-08-31T10:08:13,362 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5 2025-08-31T10:08:13,364 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he 2025-08-31T10:08:13,365 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he 2025-08-31T10:08:13,367 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75 2025-08-31T10:08:13,368 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75 2025-08-31T10:08:13,371 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75 2025-08-31T10:08:13,372 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75 2025-08-31T10:08:13,374 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0 2025-08-31T10:08:13,375 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0 2025-08-31T10:08:13,377 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o 2025-08-31T10:08:13,378 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o 2025-08-31T10:08:13,380 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3 2025-08-31T10:08:13,381 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3 2025-08-31T10:08:13,384 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0 2025-08-31T10:08:13,385 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0 2025-08-31T10:08:13,387 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75 2025-08-31T10:08:13,388 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75 2025-08-31T10:08:13,390 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0 2025-08-31T10:08:13,391 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0 2025-08-31T10:08:13,393 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+ 2025-08-31T10:08:13,394 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+ 2025-08-31T10:08:13,397 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25 2025-08-31T10:08:13,398 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25 2025-08-31T10:08:13,400 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5 2025-08-31T10:08:13,401 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5 2025-08-31T10:08:13,404 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25 2025-08-31T10:08:13,405 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25 2025-08-31T10:08:13,407 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25 2025-08-31T10:08:13,408 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25 2025-08-31T10:08:13,410 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0 2025-08-31T10:08:13,411 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0 2025-08-31T10:08:13,414 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h 2025-08-31T10:08:13,415 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h 2025-08-31T10:08:13,417 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+ 2025-08-31T10:08:13,418 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+ 2025-08-31T10:08:13,420 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5 2025-08-31T10:08:13,421 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5 2025-08-31T10:08:13,424 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25 2025-08-31T10:08:13,425 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25 2025-08-31T10:08:13,427 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5 2025-08-31T10:08:13,428 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5 2025-08-31T10:08:13,431 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75 2025-08-31T10:08:13,432 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75 2025-08-31T10:08:13,434 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+ 2025-08-31T10:08:13,435 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+ 2025-08-31T10:08:13,437 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p 2025-08-31T10:08:13,438 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p 2025-08-31T10:08:13,441 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m 2025-08-31T10:08:13,442 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m 2025-08-31T10:08:13,444 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a 2025-08-31T10:08:13,445 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a 2025-08-31T10:08:13,448 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z 2025-08-31T10:08:13,449 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z 2025-08-31T10:08:13,451 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b 2025-08-31T10:08:13,452 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b 2025-08-31T10:08:13,455 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e 2025-08-31T10:08:13,456 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e 2025-08-31T10:08:13,458 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a 2025-08-31T10:08:13,459 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a 2025-08-31T10:08:13,461 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h 2025-08-31T10:08:13,462 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h 2025-08-31T10:08:13,465 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a 2025-08-31T10:08:13,466 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a 2025-08-31T10:08:13,468 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a 2025-08-31T10:08:13,469 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a 2025-08-31T10:08:13,472 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d 2025-08-31T10:08:13,473 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d 2025-08-31T10:08:13,475 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g 2025-08-31T10:08:13,476 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g 2025-08-31T10:08:13,479 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p 2025-08-31T10:08:13,480 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p 2025-08-31T10:08:13,482 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a 2025-08-31T10:08:13,483 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a 2025-08-31T10:08:13,486 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a 2025-08-31T10:08:13,487 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a 2025-08-31T10:08:13,490 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f 2025-08-31T10:08:13,491 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f 2025-08-31T10:08:13,493 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b 2025-08-31T10:08:13,495 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b 2025-08-31T10:08:13,497 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p 2025-08-31T10:08:13,498 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p 2025-08-31T10:08:13,501 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c 2025-08-31T10:08:13,502 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c 2025-08-31T10:08:13,504 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b 2025-08-31T10:08:13,505 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b 2025-08-31T10:08:13,507 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d 2025-08-31T10:08:13,509 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d 2025-08-31T10:08:13,511 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p 2025-08-31T10:08:13,512 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p 2025-08-31T10:08:13,514 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b 2025-08-31T10:08:13,515 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b 2025-08-31T10:08:13,518 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa 2025-08-31T10:08:13,519 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa 2025-08-31T10:08:13,521 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4 2025-08-31T10:08:13,523 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4 2025-08-31T10:08:13,525 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8 2025-08-31T10:08:13,527 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8 2025-08-31T10:08:13,529 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3 2025-08-31T10:08:13,530 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3 2025-08-31T10:08:13,533 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10 2025-08-31T10:08:13,534 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10 2025-08-31T10:08:13,536 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7 2025-08-31T10:08:13,538 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7 2025-08-31T10:08:13,540 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6 2025-08-31T10:08:13,541 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6 2025-08-31T10:08:13,543 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1 2025-08-31T10:08:13,544 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1 2025-08-31T10:08:13,547 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2 2025-08-31T10:08:13,548 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2 2025-08-31T10:08:13,550 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5 2025-08-31T10:08:13,551 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5 2025-08-31T10:08:13,554 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9 2025-08-31T10:08:13,555 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9 2025-08-31T10:08:13,557 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a 2025-08-31T10:08:13,559 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a 2025-08-31T10:08:13,561 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b 2025-08-31T10:08:13,562 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b 2025-08-31T10:08:13,564 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a 2025-08-31T10:08:13,565 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a 2025-08-31T10:08:13,568 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a 2025-08-31T10:08:13,569 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a 2025-08-31T10:08:13,571 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b 2025-08-31T10:08:13,572 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b 2025-08-31T10:08:13,574 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b 2025-08-31T10:08:13,575 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b 2025-08-31T10:08:13,578 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b 2025-08-31T10:08:13,578 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b 2025-08-31T10:08:13,581 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a 2025-08-31T10:08:13,582 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a 2025-08-31T10:08:13,584 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a 2025-08-31T10:08:13,585 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a 2025-08-31T10:08:13,587 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a 2025-08-31T10:08:13,588 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a 2025-08-31T10:08:13,590 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c 2025-08-31T10:08:13,591 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c 2025-08-31T10:08:13,594 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d 2025-08-31T10:08:13,595 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d 2025-08-31T10:08:13,597 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d 2025-08-31T10:08:13,598 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d 2025-08-31T10:08:13,601 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a 2025-08-31T10:08:13,602 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a 2025-08-31T10:08:13,604 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a 2025-08-31T10:08:13,605 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a 2025-08-31T10:08:13,607 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a 2025-08-31T10:08:13,608 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a 2025-08-31T10:08:13,611 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b 2025-08-31T10:08:13,612 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b 2025-08-31T10:08:13,614 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b 2025-08-31T10:08:13,616 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b 2025-08-31T10:08:13,618 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b 2025-08-31T10:08:13,619 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b 2025-08-31T10:08:13,621 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a 2025-08-31T10:08:13,622 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a 2025-08-31T10:08:13,624 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b 2025-08-31T10:08:13,625 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b 2025-08-31T10:08:13,627 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c 2025-08-31T10:08:13,628 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c 2025-08-31T10:08:13,631 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b 2025-08-31T10:08:13,632 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b 2025-08-31T10:08:13,634 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b 2025-08-31T10:08:13,635 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b 2025-08-31T10:08:13,637 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c 2025-08-31T10:08:13,638 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c 2025-08-31T10:08:13,640 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2 2025-08-31T10:08:13,642 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2 2025-08-31T10:08:13,645 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene 2025-08-31T10:08:13,646 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene 2025-08-31T10:08:13,648 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11 2025-08-31T10:08:13,649 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11 2025-08-31T10:08:13,651 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S 2025-08-31T10:08:13,653 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S 2025-08-31T10:08:13,655 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H 2025-08-31T10:08:13,656 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H 2025-08-31T10:08:13,658 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane 2025-08-31T10:08:13,659 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane 2025-08-31T10:08:13,662 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane 2025-08-31T10:08:13,663 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane 2025-08-31T10:08:13,665 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole 2025-08-31T10:08:13,666 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole 2025-08-31T10:08:13,669 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H 2025-08-31T10:08:13,670 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H 2025-08-31T10:08:13,672 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3 2025-08-31T10:08:13,674 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3 2025-08-31T10:08:13,676 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2 2025-08-31T10:08:13,677 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2 2025-08-31T10:08:13,680 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol 2025-08-31T10:08:13,681 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol 2025-08-31T10:08:13,683 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole 2025-08-31T10:08:13,684 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole 2025-08-31T10:08:13,686 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2 2025-08-31T10:08:13,687 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2 2025-08-31T10:08:13,689 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene 2025-08-31T10:08:13,690 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene 2025-08-31T10:08:13,692 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole 2025-08-31T10:08:13,693 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole 2025-08-31T10:08:13,695 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH 2025-08-31T10:08:13,696 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH 2025-08-31T10:08:13,698 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine 2025-08-31T10:08:13,700 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine 2025-08-31T10:08:13,702 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene 2025-08-31T10:08:13,703 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene 2025-08-31T10:08:13,705 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2 2025-08-31T10:08:13,706 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2 2025-08-31T10:08:13,709 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane 2025-08-31T10:08:13,710 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane 2025-08-31T10:08:13,712 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene 2025-08-31T10:08:13,713 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene 2025-08-31T10:08:13,715 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO 2025-08-31T10:08:13,716 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO 2025-08-31T10:08:13,718 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane 2025-08-31T10:08:13,719 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane 2025-08-31T10:08:13,722 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2 2025-08-31T10:08:13,723 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2 2025-08-31T10:08:13,725 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2 2025-08-31T10:08:13,727 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2 2025-08-31T10:08:13,729 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran 2025-08-31T10:08:13,730 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran 2025-08-31T10:08:13,732 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN 2025-08-31T10:08:13,733 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN 2025-08-31T10:08:13,736 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane 2025-08-31T10:08:13,737 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane 2025-08-31T10:08:13,739 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2 2025-08-31T10:08:13,740 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2 2025-08-31T10:08:13,742 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole 2025-08-31T10:08:13,743 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole 2025-08-31T10:08:13,745 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene 2025-08-31T10:08:13,746 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene 2025-08-31T10:08:13,749 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2 2025-08-31T10:08:13,750 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2 2025-08-31T10:08:13,752 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO 2025-08-31T10:08:13,753 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO 2025-08-31T10:08:13,755 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol 2025-08-31T10:08:13,756 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol 2025-08-31T10:08:13,759 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene 2025-08-31T10:08:13,760 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene 2025-08-31T10:08:13,762 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2 2025-08-31T10:08:13,763 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2 2025-08-31T10:08:13,765 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3 2025-08-31T10:08:13,767 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3 2025-08-31T10:08:13,769 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone 2025-08-31T10:08:13,770 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone 2025-08-31T10:08:13,772 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone 2025-08-31T10:08:13,774 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone 2025-08-31T10:08:13,776 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2 2025-08-31T10:08:13,777 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2 2025-08-31T10:08:13,779 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne 2025-08-31T10:08:13,780 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne 2025-08-31T10:08:13,782 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane 2025-08-31T10:08:13,783 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane 2025-08-31T10:08:13,786 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H 2025-08-31T10:08:13,787 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H 2025-08-31T10:08:13,789 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine 2025-08-31T10:08:13,790 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine 2025-08-31T10:08:13,792 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2 2025-08-31T10:08:13,793 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2 2025-08-31T10:08:13,795 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2 2025-08-31T10:08:13,796 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2 2025-08-31T10:08:13,799 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2 2025-08-31T10:08:13,800 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2 2025-08-31T10:08:13,802 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2 2025-08-31T10:08:13,803 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2 2025-08-31T10:08:13,806 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene 2025-08-31T10:08:13,807 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene 2025-08-31T10:08:13,809 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO 2025-08-31T10:08:13,810 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO 2025-08-31T10:08:13,812 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2 2025-08-31T10:08:13,813 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2 2025-08-31T10:08:13,816 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne 2025-08-31T10:08:13,817 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne 2025-08-31T10:08:13,819 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane 2025-08-31T10:08:13,820 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane 2025-08-31T10:08:13,823 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3 2025-08-31T10:08:13,824 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3 2025-08-31T10:08:13,826 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2 2025-08-31T10:08:13,827 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2 2025-08-31T10:08:13,830 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne 2025-08-31T10:08:13,831 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne 2025-08-31T10:08:13,833 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO 2025-08-31T10:08:13,834 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO 2025-08-31T10:08:13,837 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O 2025-08-31T10:08:13,838 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O 2025-08-31T10:08:13,840 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane 2025-08-31T10:08:13,841 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane 2025-08-31T10:08:13,844 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2 2025-08-31T10:08:13,845 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2 2025-08-31T10:08:13,847 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2025-08-31T10:08:13,848 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2025-08-31T10:08:13,850 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3 2025-08-31T10:08:13,851 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3 2025-08-31T10:08:13,853 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene 2025-08-31T10:08:13,854 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene 2025-08-31T10:08:13,857 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane 2025-08-31T10:08:13,858 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane 2025-08-31T10:08:13,860 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne 2025-08-31T10:08:13,861 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne 2025-08-31T10:08:13,863 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol 2025-08-31T10:08:13,865 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol 2025-08-31T10:08:13,867 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane 2025-08-31T10:08:13,868 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane 2025-08-31T10:08:13,870 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H 2025-08-31T10:08:13,871 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H 2025-08-31T10:08:13,874 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione 2025-08-31T10:08:13,875 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione 2025-08-31T10:08:13,877 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H 2025-08-31T10:08:13,878 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H 2025-08-31T10:08:13,881 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene 2025-08-31T10:08:13,882 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene 2025-08-31T10:08:13,884 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN 2025-08-31T10:08:13,885 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN 2025-08-31T10:08:13,887 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran 2025-08-31T10:08:13,888 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran 2025-08-31T10:08:13,890 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene 2025-08-31T10:08:13,892 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene 2025-08-31T10:08:13,894 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO 2025-08-31T10:08:13,895 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO 2025-08-31T10:08:13,897 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl 2025-08-31T10:08:13,898 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl 2025-08-31T10:08:13,901 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3 2025-08-31T10:08:13,902 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3 2025-08-31T10:08:13,904 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene 2025-08-31T10:08:13,905 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene 2025-08-31T10:08:13,907 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene 2025-08-31T10:08:13,908 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene 2025-08-31T10:08:13,910 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO 2025-08-31T10:08:13,911 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO 2025-08-31T10:08:13,913 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2 2025-08-31T10:08:13,914 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2 2025-08-31T10:08:13,917 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2 2025-08-31T10:08:13,918 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2 2025-08-31T10:08:13,920 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O 2025-08-31T10:08:13,921 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O 2025-08-31T10:08:13,923 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol 2025-08-31T10:08:13,924 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol 2025-08-31T10:08:13,926 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2025-08-31T10:08:13,927 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2025-08-31T10:08:13,929 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO 2025-08-31T10:08:13,930 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO 2025-08-31T10:08:13,933 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5 2025-08-31T10:08:13,934 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5 2025-08-31T10:08:13,936 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29 2025-08-31T10:08:13,938 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29 2025-08-31T10:08:13,940 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45 2025-08-31T10:08:13,941 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45 2025-08-31T10:08:13,943 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1 2025-08-31T10:08:13,944 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1 2025-08-31T10:08:13,946 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13 2025-08-31T10:08:13,947 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13 2025-08-31T10:08:13,949 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35 2025-08-31T10:08:13,950 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35 2025-08-31T10:08:13,953 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40 2025-08-31T10:08:13,954 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40 2025-08-31T10:08:13,956 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17 2025-08-31T10:08:13,957 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17 2025-08-31T10:08:13,959 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18 2025-08-31T10:08:13,960 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18 2025-08-31T10:08:13,962 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17 2025-08-31T10:08:13,963 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17 2025-08-31T10:08:13,965 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36 2025-08-31T10:08:13,966 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36 2025-08-31T10:08:13,968 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15 2025-08-31T10:08:13,969 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15 2025-08-31T10:08:13,971 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32 2025-08-31T10:08:13,972 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32 2025-08-31T10:08:13,974 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42 2025-08-31T10:08:13,976 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42 2025-08-31T10:08:13,978 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12 2025-08-31T10:08:13,979 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12 2025-08-31T10:08:13,981 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40 2025-08-31T10:08:13,982 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40 2025-08-31T10:08:13,984 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5 2025-08-31T10:08:13,985 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5 2025-08-31T10:08:13,987 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6 2025-08-31T10:08:13,988 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6 2025-08-31T10:08:13,990 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28 2025-08-31T10:08:13,991 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28 2025-08-31T10:08:13,994 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36 2025-08-31T10:08:13,995 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36 2025-08-31T10:08:13,997 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22 2025-08-31T10:08:13,998 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22 2025-08-31T10:08:14,000 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33 2025-08-31T10:08:14,001 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33 2025-08-31T10:08:14,003 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44 2025-08-31T10:08:14,004 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44 2025-08-31T10:08:14,007 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18 2025-08-31T10:08:14,008 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18 2025-08-31T10:08:14,010 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7 2025-08-31T10:08:14,011 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7 2025-08-31T10:08:14,013 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20 2025-08-31T10:08:14,014 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20 2025-08-31T10:08:14,016 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25 2025-08-31T10:08:14,017 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25 2025-08-31T10:08:14,019 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23 2025-08-31T10:08:14,020 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23 2025-08-31T10:08:14,022 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8 2025-08-31T10:08:14,024 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8 2025-08-31T10:08:14,026 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3 2025-08-31T10:08:14,027 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3 2025-08-31T10:08:14,029 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4 2025-08-31T10:08:14,030 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4 2025-08-31T10:08:14,032 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7 2025-08-31T10:08:14,033 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7 2025-08-31T10:08:14,035 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19 2025-08-31T10:08:14,036 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19 2025-08-31T10:08:14,039 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27 2025-08-31T10:08:14,040 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27 2025-08-31T10:08:14,042 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30 2025-08-31T10:08:14,043 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30 2025-08-31T10:08:14,045 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33 2025-08-31T10:08:14,046 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33 2025-08-31T10:08:14,048 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9 2025-08-31T10:08:14,050 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9 2025-08-31T10:08:14,052 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27 2025-08-31T10:08:14,053 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27 2025-08-31T10:08:14,055 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43 2025-08-31T10:08:14,056 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43 2025-08-31T10:08:14,058 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25 2025-08-31T10:08:14,059 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25 2025-08-31T10:08:14,061 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16 2025-08-31T10:08:14,062 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16 2025-08-31T10:08:14,065 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21 2025-08-31T10:08:14,066 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21 2025-08-31T10:08:14,068 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12 2025-08-31T10:08:14,070 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12 2025-08-31T10:08:14,072 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43 2025-08-31T10:08:14,073 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43 2025-08-31T10:08:14,075 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6 2025-08-31T10:08:14,076 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6 2025-08-31T10:08:14,078 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39 2025-08-31T10:08:14,079 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39 2025-08-31T10:08:14,081 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31 2025-08-31T10:08:14,083 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31 2025-08-31T10:08:14,085 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4 2025-08-31T10:08:14,086 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4 2025-08-31T10:08:14,088 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16 2025-08-31T10:08:14,089 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16 2025-08-31T10:08:14,091 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2 2025-08-31T10:08:14,092 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2 2025-08-31T10:08:14,094 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20 2025-08-31T10:08:14,095 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20 2025-08-31T10:08:14,098 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35 2025-08-31T10:08:14,099 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35 2025-08-31T10:08:14,101 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37 2025-08-31T10:08:14,102 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37 2025-08-31T10:08:14,104 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13 2025-08-31T10:08:14,106 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13 2025-08-31T10:08:14,108 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39 2025-08-31T10:08:14,109 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39 2025-08-31T10:08:14,111 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30 2025-08-31T10:08:14,112 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30 2025-08-31T10:08:14,114 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24 2025-08-31T10:08:14,116 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24 2025-08-31T10:08:14,118 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42 2025-08-31T10:08:14,119 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42 2025-08-31T10:08:14,121 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34 2025-08-31T10:08:14,122 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34 2025-08-31T10:08:14,125 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24 2025-08-31T10:08:14,126 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24 2025-08-31T10:08:14,128 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19 2025-08-31T10:08:14,129 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19 2025-08-31T10:08:14,131 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34 2025-08-31T10:08:14,132 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34 2025-08-31T10:08:14,135 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31 2025-08-31T10:08:14,136 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31 2025-08-31T10:08:14,138 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38 2025-08-31T10:08:14,139 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38 2025-08-31T10:08:14,141 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22 2025-08-31T10:08:14,142 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22 2025-08-31T10:08:14,144 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8 2025-08-31T10:08:14,146 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8 2025-08-31T10:08:14,148 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23 2025-08-31T10:08:14,149 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23 2025-08-31T10:08:14,151 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1 2025-08-31T10:08:14,152 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1 2025-08-31T10:08:14,154 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26 2025-08-31T10:08:14,155 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26 2025-08-31T10:08:14,158 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38 2025-08-31T10:08:14,159 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38 2025-08-31T10:08:14,161 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10 2025-08-31T10:08:14,162 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10 2025-08-31T10:08:14,164 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41 2025-08-31T10:08:14,166 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41 2025-08-31T10:08:14,168 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45 2025-08-31T10:08:14,169 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45 2025-08-31T10:08:14,171 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21 2025-08-31T10:08:14,172 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21 2025-08-31T10:08:14,174 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37 2025-08-31T10:08:14,175 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37 2025-08-31T10:08:14,178 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9 2025-08-31T10:08:14,179 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9 2025-08-31T10:08:14,181 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11 2025-08-31T10:08:14,182 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11 2025-08-31T10:08:14,184 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32 2025-08-31T10:08:14,185 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32 2025-08-31T10:08:14,188 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15 2025-08-31T10:08:14,189 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15 2025-08-31T10:08:14,191 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28 2025-08-31T10:08:14,193 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28 2025-08-31T10:08:14,195 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26 2025-08-31T10:08:14,196 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26 2025-08-31T10:08:14,198 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29 2025-08-31T10:08:14,199 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29 2025-08-31T10:08:14,201 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3 2025-08-31T10:08:14,202 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3 2025-08-31T10:08:14,204 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41 2025-08-31T10:08:14,205 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41 2025-08-31T10:08:14,207 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2 2025-08-31T10:08:14,208 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2 2025-08-31T10:08:14,210 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44 2025-08-31T10:08:14,211 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44 2025-08-31T10:08:14,214 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10 2025-08-31T10:08:14,215 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10 2025-08-31T10:08:14,217 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11 2025-08-31T10:08:14,218 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11 2025-08-31T10:08:14,221 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio 2025-08-31T10:08:14,223 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio 2025-08-31T10:08:14,225 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf 2025-08-31T10:08:14,226 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf 2025-08-31T10:08:14,228 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k 2025-08-31T10:08:14,229 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k 2025-08-31T10:08:14,231 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be 2025-08-31T10:08:14,232 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be 2025-08-31T10:08:14,235 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s 2025-08-31T10:08:14,236 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s 2025-08-31T10:08:14,238 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf 2025-08-31T10:08:14,239 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf 2025-08-31T10:08:14,242 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo 2025-08-31T10:08:14,243 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo 2025-08-31T10:08:14,245 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o 2025-08-31T10:08:14,246 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o 2025-08-31T10:08:14,249 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo 2025-08-31T10:08:14,250 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo 2025-08-31T10:08:14,252 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs 2025-08-31T10:08:14,253 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs 2025-08-31T10:08:14,256 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao 2025-08-31T10:08:14,257 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao 2025-08-31T10:08:14,259 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao 2025-08-31T10:08:14,260 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao 2025-08-31T10:08:14,262 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg 2025-08-31T10:08:14,263 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg 2025-08-31T10:08:14,265 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li 2025-08-31T10:08:14,266 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li 2025-08-31T10:08:14,268 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h 2025-08-31T10:08:14,269 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h 2025-08-31T10:08:14,271 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca 2025-08-31T10:08:14,273 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca 2025-08-31T10:08:14,275 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na 2025-08-31T10:08:14,276 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na 2025-08-31T10:08:14,278 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif 2025-08-31T10:08:14,279 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif 2025-08-31T10:08:14,281 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f 2025-08-31T10:08:14,282 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f 2025-08-31T10:08:14,284 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef 2025-08-31T10:08:14,285 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef 2025-08-31T10:08:14,287 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121 2025-08-31T10:08:14,289 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121 2025-08-31T10:08:14,291 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94 2025-08-31T10:08:14,292 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94 2025-08-31T10:08:14,294 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68 2025-08-31T10:08:14,296 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68 2025-08-31T10:08:14,298 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23 2025-08-31T10:08:14,299 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23 2025-08-31T10:08:14,301 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8 2025-08-31T10:08:14,302 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8 2025-08-31T10:08:14,305 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30 2025-08-31T10:08:14,306 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30 2025-08-31T10:08:14,308 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57 2025-08-31T10:08:14,310 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57 2025-08-31T10:08:14,312 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106 2025-08-31T10:08:14,313 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106 2025-08-31T10:08:14,315 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56 2025-08-31T10:08:14,316 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56 2025-08-31T10:08:14,318 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60 2025-08-31T10:08:14,319 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60 2025-08-31T10:08:14,321 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61 2025-08-31T10:08:14,322 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61 2025-08-31T10:08:14,325 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88 2025-08-31T10:08:14,326 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88 2025-08-31T10:08:14,328 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126 2025-08-31T10:08:14,329 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126 2025-08-31T10:08:14,331 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34 2025-08-31T10:08:14,332 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34 2025-08-31T10:08:14,334 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113 2025-08-31T10:08:14,335 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113 2025-08-31T10:08:14,337 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73 2025-08-31T10:08:14,338 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73 2025-08-31T10:08:14,340 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118 2025-08-31T10:08:14,341 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118 2025-08-31T10:08:14,344 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97 2025-08-31T10:08:14,345 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97 2025-08-31T10:08:14,347 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67 2025-08-31T10:08:14,348 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67 2025-08-31T10:08:14,350 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22 2025-08-31T10:08:14,351 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22 2025-08-31T10:08:14,354 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18 2025-08-31T10:08:14,355 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18 2025-08-31T10:08:14,357 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52 2025-08-31T10:08:14,358 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52 2025-08-31T10:08:14,360 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59 2025-08-31T10:08:14,361 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59 2025-08-31T10:08:14,364 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40 2025-08-31T10:08:14,365 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40 2025-08-31T10:08:14,367 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47 2025-08-31T10:08:14,368 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47 2025-08-31T10:08:14,370 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21 2025-08-31T10:08:14,371 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21 2025-08-31T10:08:14,373 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66 2025-08-31T10:08:14,374 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66 2025-08-31T10:08:14,376 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13 2025-08-31T10:08:14,377 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13 2025-08-31T10:08:14,379 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58 2025-08-31T10:08:14,380 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58 2025-08-31T10:08:14,382 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25 2025-08-31T10:08:14,384 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25 2025-08-31T10:08:14,386 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32 2025-08-31T10:08:14,387 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32 2025-08-31T10:08:14,389 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6 2025-08-31T10:08:14,390 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6 2025-08-31T10:08:14,392 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14 2025-08-31T10:08:14,393 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14 2025-08-31T10:08:14,395 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1 2025-08-31T10:08:14,396 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1 2025-08-31T10:08:14,398 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24 2025-08-31T10:08:14,399 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24 2025-08-31T10:08:14,401 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45 2025-08-31T10:08:14,402 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45 2025-08-31T10:08:14,404 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26 2025-08-31T10:08:14,405 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26 2025-08-31T10:08:14,408 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104 2025-08-31T10:08:14,409 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104 2025-08-31T10:08:14,411 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100 2025-08-31T10:08:14,412 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100 2025-08-31T10:08:14,414 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33 2025-08-31T10:08:14,415 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33 2025-08-31T10:08:14,417 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51 2025-08-31T10:08:14,418 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51 2025-08-31T10:08:14,420 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39 2025-08-31T10:08:14,421 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39 2025-08-31T10:08:14,424 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117 2025-08-31T10:08:14,425 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117 2025-08-31T10:08:14,427 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128 2025-08-31T10:08:14,428 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128 2025-08-31T10:08:14,430 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82 2025-08-31T10:08:14,431 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82 2025-08-31T10:08:14,433 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62 2025-08-31T10:08:14,434 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62 2025-08-31T10:08:14,436 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11 2025-08-31T10:08:14,437 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11 2025-08-31T10:08:14,439 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n 2025-08-31T10:08:14,441 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n 2025-08-31T10:08:14,443 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n 2025-08-31T10:08:14,444 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n 2025-08-31T10:08:14,446 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s 2025-08-31T10:08:14,448 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s 2025-08-31T10:08:14,450 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10 2025-08-31T10:08:14,451 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10 2025-08-31T10:08:14,453 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11 2025-08-31T10:08:14,454 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11 2025-08-31T10:08:14,456 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8 2025-08-31T10:08:14,457 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8 2025-08-31T10:08:14,459 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n 2025-08-31T10:08:14,460 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n 2025-08-31T10:08:14,462 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16 2025-08-31T10:08:14,464 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16 2025-08-31T10:08:14,466 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n 2025-08-31T10:08:14,467 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n 2025-08-31T10:08:14,469 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n 2025-08-31T10:08:14,470 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n 2025-08-31T10:08:14,472 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13 2025-08-31T10:08:14,474 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13 2025-08-31T10:08:14,476 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20 2025-08-31T10:08:14,477 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20 2025-08-31T10:08:14,479 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19 2025-08-31T10:08:14,480 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19 2025-08-31T10:08:14,483 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n 2025-08-31T10:08:14,484 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n 2025-08-31T10:08:14,486 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n 2025-08-31T10:08:14,487 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n 2025-08-31T10:08:14,489 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p- 2025-08-31T10:08:14,490 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p- 2025-08-31T10:08:14,492 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c- 2025-08-31T10:08:14,493 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c- 2025-08-31T10:08:14,495 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o- 2025-08-31T10:08:14,497 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o- 2025-08-31T10:08:14,499 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22 2025-08-31T10:08:14,500 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22 2025-08-31T10:08:14,502 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23 2025-08-31T10:08:14,503 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23 2025-08-31T10:08:14,505 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12 2025-08-31T10:08:14,506 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12 2025-08-31T10:08:14,508 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si 2025-08-31T10:08:14,509 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si 2025-08-31T10:08:14,512 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl 2025-08-31T10:08:14,513 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl 2025-08-31T10:08:14,515 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9 2025-08-31T10:08:14,516 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9 2025-08-31T10:08:14,518 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15 2025-08-31T10:08:14,519 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15 2025-08-31T10:08:14,522 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25 2025-08-31T10:08:14,524 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25 2025-08-31T10:08:14,526 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si- 2025-08-31T10:08:14,527 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si- 2025-08-31T10:08:14,529 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n 2025-08-31T10:08:14,530 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n 2025-08-31T10:08:14,532 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl- 2025-08-31T10:08:14,533 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl- 2025-08-31T10:08:14,535 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n 2025-08-31T10:08:14,537 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n 2025-08-31T10:08:14,539 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f- 2025-08-31T10:08:14,540 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f- 2025-08-31T10:08:14,542 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f 2025-08-31T10:08:14,543 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f 2025-08-31T10:08:14,545 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14 2025-08-31T10:08:14,546 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14 2025-08-31T10:08:14,548 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c 2025-08-31T10:08:14,549 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c 2025-08-31T10:08:14,551 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17 2025-08-31T10:08:14,552 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17 2025-08-31T10:08:14,554 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n 2025-08-31T10:08:14,555 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n 2025-08-31T10:08:14,557 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n 2025-08-31T10:08:14,558 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n 2025-08-31T10:08:14,561 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n 2025-08-31T10:08:14,562 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n 2025-08-31T10:08:14,565 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n 2025-08-31T10:08:14,566 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n 2025-08-31T10:08:14,569 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s- 2025-08-31T10:08:14,570 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s- 2025-08-31T10:08:14,573 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n 2025-08-31T10:08:14,574 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n 2025-08-31T10:08:14,577 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n 2025-08-31T10:08:14,578 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n 2025-08-31T10:08:14,580 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n 2025-08-31T10:08:14,582 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n 2025-08-31T10:08:14,584 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o 2025-08-31T10:08:14,585 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o 2025-08-31T10:08:14,587 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n 2025-08-31T10:08:14,588 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n 2025-08-31T10:08:14,590 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p 2025-08-31T10:08:14,591 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p 2025-08-31T10:08:14,593 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24 2025-08-31T10:08:14,595 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24 2025-08-31T10:08:14,597 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18 2025-08-31T10:08:14,598 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18 2025-08-31T10:08:14,600 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n 2025-08-31T10:08:14,601 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n 2025-08-31T10:08:14,603 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21 2025-08-31T10:08:14,604 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21 2025-08-31T10:08:14,606 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5 2025-08-31T10:08:14,608 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5 2025-08-31T10:08:14,610 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5 2025-08-31T10:08:14,611 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5 2025-08-31T10:08:14,613 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3 2025-08-31T10:08:14,614 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3 2025-08-31T10:08:14,616 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7 2025-08-31T10:08:14,617 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7 2025-08-31T10:08:14,620 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4 2025-08-31T10:08:14,621 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4 2025-08-31T10:08:14,623 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6 2025-08-31T10:08:14,624 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6 2025-08-31T10:08:14,626 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2 2025-08-31T10:08:14,627 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2 2025-08-31T10:08:14,629 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6 2025-08-31T10:08:14,631 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6 2025-08-31T10:08:14,633 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7 2025-08-31T10:08:14,634 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7 2025-08-31T10:08:14,636 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4 2025-08-31T10:08:14,637 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4 2025-08-31T10:08:14,640 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3 2025-08-31T10:08:14,641 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3 2025-08-31T10:08:14,643 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2 2025-08-31T10:08:14,645 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2 2025-08-31T10:08:14,647 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3 2025-08-31T10:08:14,648 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3 2025-08-31T10:08:14,650 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4 2025-08-31T10:08:14,652 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4 2025-08-31T10:08:14,654 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5 2025-08-31T10:08:14,655 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5 2025-08-31T10:08:14,658 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4 2025-08-31T10:08:14,659 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4 2025-08-31T10:08:14,661 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts 2025-08-31T10:08:14,662 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts 2025-08-31T10:08:14,664 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts 2025-08-31T10:08:14,665 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts 2025-08-31T10:08:14,668 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o 2025-08-31T10:08:14,669 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o 2025-08-31T10:08:14,671 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3 2025-08-31T10:08:14,672 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3 2025-08-31T10:08:14,674 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6 2025-08-31T10:08:14,675 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6 2025-08-31T10:08:14,677 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2 2025-08-31T10:08:14,678 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2 2025-08-31T10:08:14,680 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf 2025-08-31T10:08:14,681 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf 2025-08-31T10:08:14,683 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5 2025-08-31T10:08:14,685 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5 2025-08-31T10:08:14,687 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts 2025-08-31T10:08:14,688 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts 2025-08-31T10:08:14,690 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2 2025-08-31T10:08:14,691 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2 2025-08-31T10:08:14,693 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts 2025-08-31T10:08:14,694 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts 2025-08-31T10:08:14,696 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4 2025-08-31T10:08:14,698 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4 2025-08-31T10:08:14,700 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3 2025-08-31T10:08:14,701 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3 2025-08-31T10:08:14,703 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts 2025-08-31T10:08:14,704 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts 2025-08-31T10:08:14,706 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6 2025-08-31T10:08:14,708 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6 2025-08-31T10:08:14,710 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts 2025-08-31T10:08:14,711 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts 2025-08-31T10:08:14,713 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts 2025-08-31T10:08:14,715 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts 2025-08-31T10:08:14,717 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts 2025-08-31T10:08:14,718 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts 2025-08-31T10:08:14,720 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts 2025-08-31T10:08:14,721 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts 2025-08-31T10:08:14,724 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts 2025-08-31T10:08:14,725 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts 2025-08-31T10:08:14,727 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts 2025-08-31T10:08:14,728 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts 2025-08-31T10:08:14,730 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts 2025-08-31T10:08:14,731 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts 2025-08-31T10:08:14,733 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2 2025-08-31T10:08:14,734 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2 2025-08-31T10:08:14,736 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3 2025-08-31T10:08:14,737 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3 2025-08-31T10:08:14,739 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts 2025-08-31T10:08:14,740 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts 2025-08-31T10:08:14,743 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1 2025-08-31T10:08:14,744 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1 2025-08-31T10:08:14,746 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH 2025-08-31T10:08:14,748 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH 2025-08-31T10:08:14,750 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein 2025-08-31T10:08:14,751 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein 2025-08-31T10:08:14,753 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X 2025-08-31T10:08:14,754 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X 2025-08-31T10:08:14,756 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5 2025-08-31T10:08:14,758 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5 2025-08-31T10:08:14,760 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene 2025-08-31T10:08:14,761 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene 2025-08-31T10:08:14,764 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7 2025-08-31T10:08:14,765 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7 2025-08-31T10:08:14,767 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8 2025-08-31T10:08:14,768 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8 2025-08-31T10:08:14,770 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane 2025-08-31T10:08:14,772 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane 2025-08-31T10:08:14,774 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3 2025-08-31T10:08:14,775 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3 2025-08-31T10:08:14,777 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6 2025-08-31T10:08:14,778 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6 2025-08-31T10:08:14,780 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4 2025-08-31T10:08:14,782 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4 2025-08-31T10:08:14,784 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine 2025-08-31T10:08:14,785 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine 2025-08-31T10:08:14,787 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X 2025-08-31T10:08:14,788 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X 2025-08-31T10:08:14,790 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X 2025-08-31T10:08:14,791 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X 2025-08-31T10:08:14,793 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene 2025-08-31T10:08:14,794 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene 2025-08-31T10:08:14,796 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10 2025-08-31T10:08:14,797 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10 2025-08-31T10:08:14,800 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene 2025-08-31T10:08:14,801 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene 2025-08-31T10:08:14,803 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene 2025-08-31T10:08:14,804 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene 2025-08-31T10:08:14,807 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9 2025-08-31T10:08:14,808 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9 2025-08-31T10:08:14,810 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2 2025-08-31T10:08:14,812 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2 2025-08-31T10:08:14,814 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X 2025-08-31T10:08:14,815 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X 2025-08-31T10:08:14,817 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6 2025-08-31T10:08:14,819 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6 2025-08-31T10:08:14,821 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b 2025-08-31T10:08:14,822 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b 2025-08-31T10:08:14,824 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs 2025-08-31T10:08:14,826 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs 2025-08-31T10:08:14,828 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6 2025-08-31T10:08:14,829 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6 2025-08-31T10:08:14,831 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O 2025-08-31T10:08:14,832 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O 2025-08-31T10:08:14,835 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d 2025-08-31T10:08:14,836 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d 2025-08-31T10:08:14,838 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2 2025-08-31T10:08:14,839 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2 2025-08-31T10:08:14,842 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3 2025-08-31T10:08:14,843 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3 2025-08-31T10:08:14,845 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4 2025-08-31T10:08:14,846 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4 2025-08-31T10:08:14,848 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2 2025-08-31T10:08:14,849 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2 2025-08-31T10:08:14,851 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5 2025-08-31T10:08:14,852 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5 2025-08-31T10:08:14,855 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5 2025-08-31T10:08:14,856 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5 2025-08-31T10:08:14,858 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs 2025-08-31T10:08:14,859 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs 2025-08-31T10:08:14,861 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2 2025-08-31T10:08:14,862 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2 2025-08-31T10:08:14,864 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4 2025-08-31T10:08:14,866 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4 2025-08-31T10:08:14,868 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20 2025-08-31T10:08:14,869 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20 2025-08-31T10:08:14,871 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d 2025-08-31T10:08:14,872 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d 2025-08-31T10:08:14,874 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3 2025-08-31T10:08:14,875 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3 2025-08-31T10:08:14,878 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op 2025-08-31T10:08:14,879 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op 2025-08-31T10:08:14,881 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4 2025-08-31T10:08:14,882 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4 2025-08-31T10:08:14,884 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c 2025-08-31T10:08:14,885 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c 2025-08-31T10:08:14,888 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O 2025-08-31T10:08:14,889 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O 2025-08-31T10:08:14,891 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm 2025-08-31T10:08:14,892 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm 2025-08-31T10:08:14,894 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2 2025-08-31T10:08:14,896 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2 2025-08-31T10:08:14,898 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm 2025-08-31T10:08:14,899 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm 2025-08-31T10:08:14,901 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc 2025-08-31T10:08:14,902 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc 2025-08-31T10:08:14,904 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d 2025-08-31T10:08:14,905 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d 2025-08-31T10:08:14,907 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es 2025-08-31T10:08:14,908 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es 2025-08-31T10:08:14,911 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O 2025-08-31T10:08:14,912 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O 2025-08-31T10:08:14,914 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3 2025-08-31T10:08:14,915 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3 2025-08-31T10:08:14,917 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f- 2025-08-31T10:08:14,919 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f- 2025-08-31T10:08:14,921 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S 2025-08-31T10:08:14,922 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S 2025-08-31T10:08:14,924 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08 2025-08-31T10:08:14,925 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08 2025-08-31T10:08:14,927 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts 2025-08-31T10:08:14,929 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts 2025-08-31T10:08:14,931 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh 2025-08-31T10:08:14,932 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh 2025-08-31T10:08:14,934 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc 2025-08-31T10:08:14,935 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc 2025-08-31T10:08:14,937 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7 2025-08-31T10:08:14,938 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7 2025-08-31T10:08:14,940 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06 2025-08-31T10:08:14,942 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06 2025-08-31T10:08:14,944 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O 2025-08-31T10:08:14,945 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O 2025-08-31T10:08:14,947 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07 2025-08-31T10:08:14,948 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07 2025-08-31T10:08:14,951 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts 2025-08-31T10:08:14,952 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts 2025-08-31T10:08:14,954 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21 2025-08-31T10:08:14,955 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21 2025-08-31T10:08:14,957 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf 2025-08-31T10:08:14,958 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf 2025-08-31T10:08:14,960 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts 2025-08-31T10:08:14,961 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts 2025-08-31T10:08:14,963 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22 2025-08-31T10:08:14,964 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22 2025-08-31T10:08:14,966 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13 2025-08-31T10:08:14,967 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13 2025-08-31T10:08:14,970 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts 2025-08-31T10:08:14,971 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts 2025-08-31T10:08:14,973 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5 2025-08-31T10:08:14,974 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5 2025-08-31T10:08:14,976 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1 2025-08-31T10:08:14,978 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1 2025-08-31T10:08:14,980 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2 2025-08-31T10:08:14,981 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2 2025-08-31T10:08:14,983 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12 2025-08-31T10:08:14,984 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12 2025-08-31T10:08:14,986 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh- 2025-08-31T10:08:14,987 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh- 2025-08-31T10:08:14,989 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco 2025-08-31T10:08:14,991 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco 2025-08-31T10:08:14,993 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf 2025-08-31T10:08:14,994 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf 2025-08-31T10:08:14,996 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2 2025-08-31T10:08:14,997 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2 2025-08-31T10:08:14,999 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4 2025-08-31T10:08:15,001 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4 2025-08-31T10:08:15,003 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts 2025-08-31T10:08:15,004 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts 2025-08-31T10:08:15,006 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2 2025-08-31T10:08:15,008 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2 2025-08-31T10:08:15,010 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp 2025-08-31T10:08:15,011 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp 2025-08-31T10:08:15,013 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH 2025-08-31T10:08:15,014 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH 2025-08-31T10:08:15,016 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f 2025-08-31T10:08:15,017 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f 2025-08-31T10:08:15,019 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts 2025-08-31T10:08:15,020 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts 2025-08-31T10:08:15,023 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2 2025-08-31T10:08:15,024 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2 2025-08-31T10:08:15,026 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11 2025-08-31T10:08:15,027 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11 2025-08-31T10:08:15,029 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03 2025-08-31T10:08:15,030 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03 2025-08-31T10:08:15,032 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20 2025-08-31T10:08:15,033 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20 2025-08-31T10:08:15,035 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17 2025-08-31T10:08:15,036 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17 2025-08-31T10:08:15,039 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15 2025-08-31T10:08:15,040 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15 2025-08-31T10:08:15,042 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3 2025-08-31T10:08:15,043 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3 2025-08-31T10:08:15,045 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts 2025-08-31T10:08:15,046 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts 2025-08-31T10:08:15,049 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts 2025-08-31T10:08:15,050 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts 2025-08-31T10:08:15,052 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8 2025-08-31T10:08:15,053 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8 2025-08-31T10:08:15,055 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4 2025-08-31T10:08:15,057 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4 2025-08-31T10:08:15,059 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1 2025-08-31T10:08:15,060 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1 2025-08-31T10:08:15,062 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts 2025-08-31T10:08:15,064 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts 2025-08-31T10:08:15,066 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01 2025-08-31T10:08:15,067 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01 2025-08-31T10:08:15,069 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2 2025-08-31T10:08:15,070 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2 2025-08-31T10:08:15,072 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl- 2025-08-31T10:08:15,073 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl- 2025-08-31T10:08:15,075 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05 2025-08-31T10:08:15,077 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05 2025-08-31T10:08:15,079 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H 2025-08-31T10:08:15,080 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H 2025-08-31T10:08:15,082 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19 2025-08-31T10:08:15,083 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19 2025-08-31T10:08:15,085 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh 2025-08-31T10:08:15,086 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh 2025-08-31T10:08:15,088 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2 2025-08-31T10:08:15,089 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2 2025-08-31T10:08:15,091 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3 2025-08-31T10:08:15,093 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3 2025-08-31T10:08:15,095 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6 2025-08-31T10:08:15,096 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6 2025-08-31T10:08:15,098 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co 2025-08-31T10:08:15,099 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co 2025-08-31T10:08:15,101 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS 2025-08-31T10:08:15,103 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS 2025-08-31T10:08:15,105 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04 2025-08-31T10:08:15,106 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04 2025-08-31T10:08:15,108 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts 2025-08-31T10:08:15,109 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts 2025-08-31T10:08:15,111 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl 2025-08-31T10:08:15,112 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl 2025-08-31T10:08:15,115 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH 2025-08-31T10:08:15,116 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH 2025-08-31T10:08:15,118 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14 2025-08-31T10:08:15,119 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14 2025-08-31T10:08:15,121 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10 2025-08-31T10:08:15,122 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10 2025-08-31T10:08:15,124 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2 2025-08-31T10:08:15,125 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2 2025-08-31T10:08:15,127 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h 2025-08-31T10:08:15,128 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h 2025-08-31T10:08:15,130 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02 2025-08-31T10:08:15,132 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02 2025-08-31T10:08:15,134 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts 2025-08-31T10:08:15,135 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts 2025-08-31T10:08:15,137 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts 2025-08-31T10:08:15,138 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts 2025-08-31T10:08:15,140 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o 2025-08-31T10:08:15,141 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o 2025-08-31T10:08:15,143 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16 2025-08-31T10:08:15,144 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16 2025-08-31T10:08:15,146 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots 2025-08-31T10:08:15,147 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots 2025-08-31T10:08:15,150 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp 2025-08-31T10:08:15,151 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp 2025-08-31T10:08:15,153 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts 2025-08-31T10:08:15,154 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts 2025-08-31T10:08:15,156 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09 2025-08-31T10:08:15,158 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09 2025-08-31T10:08:15,160 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts 2025-08-31T10:08:15,161 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts 2025-08-31T10:08:15,163 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn 2025-08-31T10:08:15,164 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn 2025-08-31T10:08:15,167 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2 2025-08-31T10:08:15,168 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2 2025-08-31T10:08:15,170 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f 2025-08-31T10:08:15,171 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f 2025-08-31T10:08:15,173 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5 2025-08-31T10:08:15,174 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5 2025-08-31T10:08:15,177 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts 2025-08-31T10:08:15,178 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts 2025-08-31T10:08:15,180 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl 2025-08-31T10:08:15,181 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl 2025-08-31T10:08:15,183 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3 2025-08-31T10:08:15,184 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3 2025-08-31T10:08:15,186 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18 2025-08-31T10:08:15,187 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18 2025-08-31T10:08:15,189 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl 2025-08-31T10:08:15,191 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl 2025-08-31T10:08:15,193 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O 2025-08-31T10:08:15,194 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O 2025-08-31T10:08:15,196 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2 2025-08-31T10:08:15,197 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2 2025-08-31T10:08:15,199 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4 2025-08-31T10:08:15,201 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4 2025-08-31T10:08:15,203 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12 2025-08-31T10:08:15,204 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12 2025-08-31T10:08:15,206 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3 2025-08-31T10:08:15,207 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3 2025-08-31T10:08:15,209 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3 2025-08-31T10:08:15,211 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3 2025-08-31T10:08:15,213 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13 2025-08-31T10:08:15,214 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13 2025-08-31T10:08:15,216 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10 2025-08-31T10:08:15,217 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10 2025-08-31T10:08:15,220 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6 2025-08-31T10:08:15,221 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6 2025-08-31T10:08:15,223 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14 2025-08-31T10:08:15,224 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14 2025-08-31T10:08:15,226 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2 2025-08-31T10:08:15,228 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2 2025-08-31T10:08:15,230 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7 2025-08-31T10:08:15,231 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7 2025-08-31T10:08:15,233 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5 2025-08-31T10:08:15,234 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5 2025-08-31T10:08:15,237 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2 2025-08-31T10:08:15,238 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2 2025-08-31T10:08:15,241 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11 2025-08-31T10:08:15,242 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11 2025-08-31T10:08:15,244 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1 2025-08-31T10:08:15,245 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1 2025-08-31T10:08:15,247 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8 2025-08-31T10:08:15,248 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8 2025-08-31T10:08:15,250 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4 2025-08-31T10:08:15,251 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4 2025-08-31T10:08:15,254 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1 2025-08-31T10:08:15,255 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1 2025-08-31T10:08:15,257 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15 2025-08-31T10:08:15,258 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15 2025-08-31T10:08:15,260 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9 2025-08-31T10:08:15,261 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9 2025-08-31T10:08:15,264 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene 2025-08-31T10:08:15,266 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene 2025-08-31T10:08:15,268 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r 2025-08-31T10:08:15,269 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r 2025-08-31T10:08:15,271 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2 2025-08-31T10:08:15,272 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2 2025-08-31T10:08:15,275 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7 2025-08-31T10:08:15,276 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7 2025-08-31T10:08:15,278 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts 2025-08-31T10:08:15,279 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts 2025-08-31T10:08:15,281 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a 2025-08-31T10:08:15,283 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a 2025-08-31T10:08:15,285 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts 2025-08-31T10:08:15,286 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts 2025-08-31T10:08:15,288 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7 2025-08-31T10:08:15,289 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7 2025-08-31T10:08:15,292 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane 2025-08-31T10:08:15,293 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane 2025-08-31T10:08:15,295 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5 2025-08-31T10:08:15,296 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5 2025-08-31T10:08:15,299 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene 2025-08-31T10:08:15,300 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene 2025-08-31T10:08:15,302 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3 2025-08-31T10:08:15,303 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3 2025-08-31T10:08:15,305 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11 2025-08-31T10:08:15,306 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11 2025-08-31T10:08:15,308 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a 2025-08-31T10:08:15,309 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a 2025-08-31T10:08:15,312 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a 2025-08-31T10:08:15,313 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a 2025-08-31T10:08:15,315 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5 2025-08-31T10:08:15,316 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5 2025-08-31T10:08:15,318 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r 2025-08-31T10:08:15,319 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r 2025-08-31T10:08:15,322 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r 2025-08-31T10:08:15,323 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r 2025-08-31T10:08:15,325 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6 2025-08-31T10:08:15,326 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6 2025-08-31T10:08:15,328 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2025-08-31T10:08:15,329 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2025-08-31T10:08:15,332 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1 2025-08-31T10:08:15,333 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1 2025-08-31T10:08:15,335 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10 2025-08-31T10:08:15,336 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10 2025-08-31T10:08:15,339 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9 2025-08-31T10:08:15,340 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9 2025-08-31T10:08:15,342 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene 2025-08-31T10:08:15,344 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene 2025-08-31T10:08:15,346 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a 2025-08-31T10:08:15,347 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a 2025-08-31T10:08:15,349 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a 2025-08-31T10:08:15,351 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a 2025-08-31T10:08:15,353 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts 2025-08-31T10:08:15,354 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts 2025-08-31T10:08:15,356 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2025-08-31T10:08:15,358 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2025-08-31T10:08:15,360 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6 2025-08-31T10:08:15,361 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6 2025-08-31T10:08:15,364 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene 2025-08-31T10:08:15,365 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene 2025-08-31T10:08:15,367 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2025-08-31T10:08:15,368 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2025-08-31T10:08:15,371 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2025-08-31T10:08:15,372 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2025-08-31T10:08:15,374 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a 2025-08-31T10:08:15,375 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a 2025-08-31T10:08:15,378 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2025-08-31T10:08:15,379 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2025-08-31T10:08:15,381 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4 2025-08-31T10:08:15,382 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4 2025-08-31T10:08:15,385 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a 2025-08-31T10:08:15,386 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a 2025-08-31T10:08:15,388 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene 2025-08-31T10:08:15,389 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene 2025-08-31T10:08:15,391 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1 2025-08-31T10:08:15,392 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1 2025-08-31T10:08:15,395 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r 2025-08-31T10:08:15,396 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r 2025-08-31T10:08:15,398 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8 2025-08-31T10:08:15,399 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8 2025-08-31T10:08:15,401 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts 2025-08-31T10:08:15,402 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts 2025-08-31T10:08:15,405 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts 2025-08-31T10:08:15,406 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts 2025-08-31T10:08:15,408 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r 2025-08-31T10:08:15,409 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r 2025-08-31T10:08:15,411 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r 2025-08-31T10:08:15,413 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r 2025-08-31T10:08:15,415 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts 2025-08-31T10:08:15,416 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts 2025-08-31T10:08:15,418 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4 2025-08-31T10:08:15,419 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4 2025-08-31T10:08:15,422 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9 2025-08-31T10:08:15,423 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9 2025-08-31T10:08:15,425 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3 2025-08-31T10:08:15,426 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3 2025-08-31T10:08:15,428 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r 2025-08-31T10:08:15,429 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r 2025-08-31T10:08:15,431 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts 2025-08-31T10:08:15,432 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts 2025-08-31T10:08:15,434 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene 2025-08-31T10:08:15,435 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene 2025-08-31T10:08:15,438 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene 2025-08-31T10:08:15,439 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene 2025-08-31T10:08:15,441 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts 2025-08-31T10:08:15,442 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts 2025-08-31T10:08:15,444 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8 2025-08-31T10:08:15,446 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8 2025-08-31T10:08:15,448 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a 2025-08-31T10:08:15,449 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a 2025-08-31T10:08:15,451 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4 2025-08-31T10:08:15,452 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4 2025-08-31T10:08:15,455 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2 2025-08-31T10:08:15,456 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2 2025-08-31T10:08:15,458 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts 2025-08-31T10:08:15,459 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts 2025-08-31T10:08:15,462 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene 2025-08-31T10:08:15,463 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene 2025-08-31T10:08:15,465 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a 2025-08-31T10:08:15,466 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a 2025-08-31T10:08:15,469 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r 2025-08-31T10:08:15,470 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r 2025-08-31T10:08:15,472 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f- 2025-08-31T10:08:15,474 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f- 2025-08-31T10:08:15,476 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S 2025-08-31T10:08:15,477 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S 2025-08-31T10:08:15,479 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08 2025-08-31T10:08:15,480 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08 2025-08-31T10:08:15,482 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts 2025-08-31T10:08:15,483 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts 2025-08-31T10:08:15,485 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh 2025-08-31T10:08:15,486 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh 2025-08-31T10:08:15,488 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc 2025-08-31T10:08:15,490 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc 2025-08-31T10:08:15,492 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7 2025-08-31T10:08:15,493 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7 2025-08-31T10:08:15,495 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06 2025-08-31T10:08:15,496 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06 2025-08-31T10:08:15,499 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O 2025-08-31T10:08:15,500 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O 2025-08-31T10:08:15,502 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07 2025-08-31T10:08:15,503 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07 2025-08-31T10:08:15,505 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts 2025-08-31T10:08:15,507 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts 2025-08-31T10:08:15,509 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21 2025-08-31T10:08:15,510 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21 2025-08-31T10:08:15,512 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf 2025-08-31T10:08:15,513 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf 2025-08-31T10:08:15,516 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts 2025-08-31T10:08:15,517 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts 2025-08-31T10:08:15,519 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22 2025-08-31T10:08:15,520 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22 2025-08-31T10:08:15,522 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13 2025-08-31T10:08:15,524 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13 2025-08-31T10:08:15,526 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts 2025-08-31T10:08:15,527 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts 2025-08-31T10:08:15,529 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5 2025-08-31T10:08:15,531 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5 2025-08-31T10:08:15,533 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1 2025-08-31T10:08:15,534 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1 2025-08-31T10:08:15,536 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2 2025-08-31T10:08:15,537 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2 2025-08-31T10:08:15,539 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12 2025-08-31T10:08:15,540 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12 2025-08-31T10:08:15,542 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh- 2025-08-31T10:08:15,543 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh- 2025-08-31T10:08:15,545 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco 2025-08-31T10:08:15,546 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco 2025-08-31T10:08:15,548 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf 2025-08-31T10:08:15,549 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf 2025-08-31T10:08:15,551 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2 2025-08-31T10:08:15,553 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2 2025-08-31T10:08:15,556 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4 2025-08-31T10:08:15,557 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4 2025-08-31T10:08:15,559 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts 2025-08-31T10:08:15,560 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts 2025-08-31T10:08:15,562 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2 2025-08-31T10:08:15,563 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2 2025-08-31T10:08:15,566 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp 2025-08-31T10:08:15,567 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp 2025-08-31T10:08:15,569 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH 2025-08-31T10:08:15,570 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH 2025-08-31T10:08:15,572 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f 2025-08-31T10:08:15,573 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f 2025-08-31T10:08:15,575 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts 2025-08-31T10:08:15,576 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts 2025-08-31T10:08:15,579 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2 2025-08-31T10:08:15,580 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2 2025-08-31T10:08:15,582 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11 2025-08-31T10:08:15,583 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11 2025-08-31T10:08:15,586 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03 2025-08-31T10:08:15,587 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03 2025-08-31T10:08:15,589 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20 2025-08-31T10:08:15,590 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20 2025-08-31T10:08:15,592 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17 2025-08-31T10:08:15,593 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17 2025-08-31T10:08:15,596 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15 2025-08-31T10:08:15,597 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15 2025-08-31T10:08:15,599 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3 2025-08-31T10:08:15,600 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3 2025-08-31T10:08:15,602 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts 2025-08-31T10:08:15,603 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts 2025-08-31T10:08:15,605 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts 2025-08-31T10:08:15,606 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts 2025-08-31T10:08:15,609 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8 2025-08-31T10:08:15,610 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8 2025-08-31T10:08:15,612 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4 2025-08-31T10:08:15,613 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4 2025-08-31T10:08:15,615 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1 2025-08-31T10:08:15,617 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1 2025-08-31T10:08:15,619 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts 2025-08-31T10:08:15,620 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts 2025-08-31T10:08:15,622 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01 2025-08-31T10:08:15,623 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01 2025-08-31T10:08:15,625 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2 2025-08-31T10:08:15,627 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2 2025-08-31T10:08:15,629 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl- 2025-08-31T10:08:15,630 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl- 2025-08-31T10:08:15,632 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05 2025-08-31T10:08:15,633 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05 2025-08-31T10:08:15,636 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H 2025-08-31T10:08:15,637 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H 2025-08-31T10:08:15,639 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19 2025-08-31T10:08:15,640 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19 2025-08-31T10:08:15,642 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh 2025-08-31T10:08:15,644 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh 2025-08-31T10:08:15,646 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2 2025-08-31T10:08:15,647 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2 2025-08-31T10:08:15,650 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3 2025-08-31T10:08:15,651 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3 2025-08-31T10:08:15,653 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6 2025-08-31T10:08:15,654 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6 2025-08-31T10:08:15,656 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co 2025-08-31T10:08:15,657 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co 2025-08-31T10:08:15,659 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS 2025-08-31T10:08:15,660 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS 2025-08-31T10:08:15,662 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04 2025-08-31T10:08:15,663 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04 2025-08-31T10:08:15,666 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts 2025-08-31T10:08:15,667 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts 2025-08-31T10:08:15,669 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl 2025-08-31T10:08:15,670 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl 2025-08-31T10:08:15,672 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH 2025-08-31T10:08:15,674 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH 2025-08-31T10:08:15,676 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14 2025-08-31T10:08:15,677 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14 2025-08-31T10:08:15,679 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10 2025-08-31T10:08:15,680 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10 2025-08-31T10:08:15,682 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2 2025-08-31T10:08:15,684 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2 2025-08-31T10:08:15,686 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h 2025-08-31T10:08:15,687 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h 2025-08-31T10:08:15,689 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02 2025-08-31T10:08:15,690 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02 2025-08-31T10:08:15,693 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts 2025-08-31T10:08:15,694 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts 2025-08-31T10:08:15,696 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts 2025-08-31T10:08:15,697 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts 2025-08-31T10:08:15,699 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o 2025-08-31T10:08:15,701 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o 2025-08-31T10:08:15,703 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16 2025-08-31T10:08:15,704 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16 2025-08-31T10:08:15,706 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots 2025-08-31T10:08:15,708 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots 2025-08-31T10:08:15,710 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp 2025-08-31T10:08:15,711 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp 2025-08-31T10:08:15,713 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts 2025-08-31T10:08:15,715 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts 2025-08-31T10:08:15,717 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09 2025-08-31T10:08:15,718 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09 2025-08-31T10:08:15,720 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts 2025-08-31T10:08:15,721 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts 2025-08-31T10:08:15,723 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn 2025-08-31T10:08:15,724 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn 2025-08-31T10:08:15,726 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2 2025-08-31T10:08:15,727 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2 2025-08-31T10:08:15,729 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f 2025-08-31T10:08:15,730 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f 2025-08-31T10:08:15,732 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5 2025-08-31T10:08:15,734 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5 2025-08-31T10:08:15,736 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts 2025-08-31T10:08:15,737 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts 2025-08-31T10:08:15,739 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl 2025-08-31T10:08:15,740 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl 2025-08-31T10:08:15,742 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3 2025-08-31T10:08:15,744 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3 2025-08-31T10:08:15,746 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18 2025-08-31T10:08:15,747 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18 2025-08-31T10:08:15,750 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl 2025-08-31T10:08:15,751 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl 2025-08-31T10:08:15,753 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O 2025-08-31T10:08:15,754 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O 2025-08-31T10:08:15,757 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2 2025-08-31T10:08:15,758 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2 2025-08-31T10:08:15,760 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab 2025-08-31T10:08:15,762 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab 2025-08-31T10:08:15,764 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII 2025-08-31T10:08:15,766 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII 2025-08-31T10:08:15,768 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444 2025-08-31T10:08:15,769 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444 2025-08-31T10:08:15,772 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII 2025-08-31T10:08:15,773 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII 2025-08-31T10:08:15,776 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691 2025-08-31T10:08:15,777 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691 2025-08-31T10:08:15,780 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114 2025-08-31T10:08:15,781 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114 2025-08-31T10:08:15,783 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR 2025-08-31T10:08:15,784 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR 2025-08-31T10:08:15,787 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b 2025-08-31T10:08:15,788 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b 2025-08-31T10:08:15,791 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470 2025-08-31T10:08:15,792 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470 2025-08-31T10:08:15,795 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412 2025-08-31T10:08:15,796 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412 2025-08-31T10:08:15,798 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR 2025-08-31T10:08:15,799 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR 2025-08-31T10:08:15,802 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99 2025-08-31T10:08:15,803 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99 2025-08-31T10:08:15,805 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357 2025-08-31T10:08:15,806 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357 2025-08-31T10:08:15,809 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300 2025-08-31T10:08:15,810 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300 2025-08-31T10:08:15,813 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366 2025-08-31T10:08:15,814 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366 2025-08-31T10:08:15,816 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215 2025-08-31T10:08:15,818 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215 2025-08-31T10:08:15,820 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b 2025-08-31T10:08:15,821 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b 2025-08-31T10:08:15,824 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL 2025-08-31T10:08:15,825 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL 2025-08-31T10:08:15,828 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224 2025-08-31T10:08:15,829 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224 2025-08-31T10:08:15,832 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab 2025-08-31T10:08:15,833 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab 2025-08-31T10:08:15,836 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL 2025-08-31T10:08:15,837 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL 2025-08-31T10:08:15,840 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl 2025-08-31T10:08:15,842 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl 2025-08-31T10:08:15,844 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI 2025-08-31T10:08:15,845 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI 2025-08-31T10:08:15,848 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA 2025-08-31T10:08:15,849 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA 2025-08-31T10:08:15,851 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA 2025-08-31T10:08:15,853 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA 2025-08-31T10:08:15,855 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA 2025-08-31T10:08:15,856 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA 2025-08-31T10:08:15,859 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2 2025-08-31T10:08:15,860 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2 2025-08-31T10:08:15,862 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr 2025-08-31T10:08:15,863 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr 2025-08-31T10:08:15,866 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS 2025-08-31T10:08:15,867 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS 2025-08-31T10:08:15,869 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI 2025-08-31T10:08:15,870 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI 2025-08-31T10:08:15,873 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB 2025-08-31T10:08:15,874 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB 2025-08-31T10:08:15,877 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B 2025-08-31T10:08:15,878 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B 2025-08-31T10:08:15,880 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB 2025-08-31T10:08:15,881 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB 2025-08-31T10:08:15,884 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA 2025-08-31T10:08:15,885 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA 2025-08-31T10:08:15,887 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB 2025-08-31T10:08:15,889 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB 2025-08-31T10:08:15,891 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA 2025-08-31T10:08:15,892 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA 2025-08-31T10:08:15,895 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB 2025-08-31T10:08:15,896 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB 2025-08-31T10:08:15,899 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3 2025-08-31T10:08:15,900 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3 2025-08-31T10:08:15,902 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB 2025-08-31T10:08:15,903 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB 2025-08-31T10:08:15,906 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB 2025-08-31T10:08:15,907 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB 2025-08-31T10:08:15,909 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB 2025-08-31T10:08:15,910 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB 2025-08-31T10:08:15,913 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH 2025-08-31T10:08:15,914 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH 2025-08-31T10:08:15,916 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe 2025-08-31T10:08:15,917 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe 2025-08-31T10:08:15,919 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH 2025-08-31T10:08:15,921 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH 2025-08-31T10:08:15,923 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA 2025-08-31T10:08:15,924 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA 2025-08-31T10:08:15,926 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr 2025-08-31T10:08:15,927 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr 2025-08-31T10:08:15,930 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr 2025-08-31T10:08:15,931 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr 2025-08-31T10:08:15,933 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A 2025-08-31T10:08:15,934 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A 2025-08-31T10:08:15,936 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr 2025-08-31T10:08:15,938 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr 2025-08-31T10:08:15,940 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2 2025-08-31T10:08:15,941 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2 2025-08-31T10:08:15,944 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B 2025-08-31T10:08:15,945 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B 2025-08-31T10:08:15,947 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3 2025-08-31T10:08:15,948 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3 2025-08-31T10:08:15,951 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH 2025-08-31T10:08:15,952 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH 2025-08-31T10:08:15,954 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS 2025-08-31T10:08:15,955 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS 2025-08-31T10:08:15,957 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl 2025-08-31T10:08:15,958 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl 2025-08-31T10:08:15,961 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB 2025-08-31T10:08:15,962 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB 2025-08-31T10:08:15,964 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH 2025-08-31T10:08:15,965 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH 2025-08-31T10:08:15,967 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3 2025-08-31T10:08:15,968 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3 2025-08-31T10:08:15,971 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe 2025-08-31T10:08:15,972 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe 2025-08-31T10:08:15,974 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr 2025-08-31T10:08:15,975 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr 2025-08-31T10:08:15,978 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A 2025-08-31T10:08:15,979 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A 2025-08-31T10:08:15,981 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr 2025-08-31T10:08:15,982 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr 2025-08-31T10:08:15,984 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB 2025-08-31T10:08:15,986 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB 2025-08-31T10:08:15,988 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI 2025-08-31T10:08:15,989 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI 2025-08-31T10:08:15,991 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB 2025-08-31T10:08:15,993 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB 2025-08-31T10:08:15,995 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB 2025-08-31T10:08:15,996 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB 2025-08-31T10:08:15,998 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI 2025-08-31T10:08:16,000 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI 2025-08-31T10:08:16,002 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH 2025-08-31T10:08:16,003 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH 2025-08-31T10:08:16,005 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA 2025-08-31T10:08:16,007 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA 2025-08-31T10:08:16,009 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB 2025-08-31T10:08:16,010 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB 2025-08-31T10:08:16,012 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH 2025-08-31T10:08:16,014 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH 2025-08-31T10:08:16,016 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB 2025-08-31T10:08:16,017 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB 2025-08-31T10:08:16,019 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS 2025-08-31T10:08:16,021 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS 2025-08-31T10:08:16,023 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3 2025-08-31T10:08:16,024 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3 2025-08-31T10:08:16,026 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI 2025-08-31T10:08:16,027 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI 2025-08-31T10:08:16,029 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA 2025-08-31T10:08:16,030 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA 2025-08-31T10:08:16,032 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH 2025-08-31T10:08:16,034 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH 2025-08-31T10:08:16,036 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA 2025-08-31T10:08:16,037 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA 2025-08-31T10:08:16,039 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS 2025-08-31T10:08:16,040 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS 2025-08-31T10:08:16,043 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe 2025-08-31T10:08:16,044 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe 2025-08-31T10:08:16,046 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB 2025-08-31T10:08:16,047 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB 2025-08-31T10:08:16,050 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB 2025-08-31T10:08:16,051 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB 2025-08-31T10:08:16,054 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB 2025-08-31T10:08:16,055 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB 2025-08-31T10:08:16,057 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3 2025-08-31T10:08:16,058 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3 2025-08-31T10:08:16,060 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH 2025-08-31T10:08:16,062 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH 2025-08-31T10:08:16,064 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI 2025-08-31T10:08:16,065 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI 2025-08-31T10:08:16,067 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH 2025-08-31T10:08:16,068 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH 2025-08-31T10:08:16,071 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl 2025-08-31T10:08:16,072 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl 2025-08-31T10:08:16,074 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr 2025-08-31T10:08:16,075 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr 2025-08-31T10:08:16,077 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH 2025-08-31T10:08:16,078 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH 2025-08-31T10:08:16,080 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB 2025-08-31T10:08:16,081 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB 2025-08-31T10:08:16,084 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A 2025-08-31T10:08:16,085 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A 2025-08-31T10:08:16,087 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB 2025-08-31T10:08:16,088 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB 2025-08-31T10:08:16,090 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA 2025-08-31T10:08:16,092 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA 2025-08-31T10:08:16,094 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B 2025-08-31T10:08:16,095 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B 2025-08-31T10:08:16,097 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS 2025-08-31T10:08:16,098 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS 2025-08-31T10:08:16,100 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr 2025-08-31T10:08:16,102 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr 2025-08-31T10:08:16,104 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB 2025-08-31T10:08:16,105 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB 2025-08-31T10:08:16,107 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2 2025-08-31T10:08:16,108 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2 2025-08-31T10:08:16,111 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2 2025-08-31T10:08:16,112 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2 2025-08-31T10:08:16,114 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS 2025-08-31T10:08:16,115 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS 2025-08-31T10:08:16,118 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl 2025-08-31T10:08:16,119 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl 2025-08-31T10:08:16,121 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr 2025-08-31T10:08:16,122 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr 2025-08-31T10:08:16,125 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS 2025-08-31T10:08:16,126 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS 2025-08-31T10:08:16,128 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB 2025-08-31T10:08:16,130 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB 2025-08-31T10:08:16,132 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB 2025-08-31T10:08:16,133 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB 2025-08-31T10:08:16,135 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB 2025-08-31T10:08:16,136 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB 2025-08-31T10:08:16,138 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3 2025-08-31T10:08:16,139 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3 2025-08-31T10:08:16,142 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr 2025-08-31T10:08:16,143 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr 2025-08-31T10:08:16,145 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI 2025-08-31T10:08:16,146 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI 2025-08-31T10:08:16,149 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB 2025-08-31T10:08:16,150 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB 2025-08-31T10:08:16,152 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe 2025-08-31T10:08:16,153 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe 2025-08-31T10:08:16,155 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3 2025-08-31T10:08:16,157 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3 2025-08-31T10:08:16,159 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI 2025-08-31T10:08:16,160 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI 2025-08-31T10:08:16,162 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS 2025-08-31T10:08:16,164 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS 2025-08-31T10:08:16,166 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA 2025-08-31T10:08:16,167 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA 2025-08-31T10:08:16,169 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI 2025-08-31T10:08:16,170 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI 2025-08-31T10:08:16,173 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI 2025-08-31T10:08:16,174 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI 2025-08-31T10:08:16,176 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB 2025-08-31T10:08:16,177 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB 2025-08-31T10:08:16,179 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3 2025-08-31T10:08:16,181 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3 2025-08-31T10:08:16,183 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr 2025-08-31T10:08:16,184 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr 2025-08-31T10:08:16,186 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr 2025-08-31T10:08:16,187 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr 2025-08-31T10:08:16,190 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB 2025-08-31T10:08:16,191 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB 2025-08-31T10:08:16,194 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr 2025-08-31T10:08:16,195 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr 2025-08-31T10:08:16,197 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH 2025-08-31T10:08:16,198 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH 2025-08-31T10:08:16,201 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH 2025-08-31T10:08:16,202 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH 2025-08-31T10:08:16,205 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G 2025-08-31T10:08:16,207 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G 2025-08-31T10:08:16,209 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp 2025-08-31T10:08:16,210 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp 2025-08-31T10:08:16,213 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp 2025-08-31T10:08:16,214 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp 2025-08-31T10:08:16,217 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp 2025-08-31T10:08:16,218 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp 2025-08-31T10:08:16,221 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol 2025-08-31T10:08:16,222 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol 2025-08-31T10:08:16,224 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6 2025-08-31T10:08:16,226 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6 2025-08-31T10:08:16,228 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp 2025-08-31T10:08:16,230 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp 2025-08-31T10:08:16,232 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A 2025-08-31T10:08:16,234 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A 2025-08-31T10:08:16,236 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp 2025-08-31T10:08:16,238 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp 2025-08-31T10:08:16,241 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol 2025-08-31T10:08:16,242 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol 2025-08-31T10:08:16,245 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o 2025-08-31T10:08:16,246 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o 2025-08-31T10:08:16,249 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp 2025-08-31T10:08:16,250 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp 2025-08-31T10:08:16,253 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh 2025-08-31T10:08:16,254 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh 2025-08-31T10:08:16,256 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p 2025-08-31T10:08:16,258 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p 2025-08-31T10:08:16,260 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3 2025-08-31T10:08:16,262 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3 2025-08-31T10:08:16,264 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p 2025-08-31T10:08:16,265 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p 2025-08-31T10:08:16,268 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p 2025-08-31T10:08:16,269 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p 2025-08-31T10:08:16,271 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4 2025-08-31T10:08:16,273 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4 2025-08-31T10:08:16,275 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap 2025-08-31T10:08:16,277 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap 2025-08-31T10:08:16,279 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4 2025-08-31T10:08:16,281 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4 2025-08-31T10:08:16,283 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2 2025-08-31T10:08:16,285 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2 2025-08-31T10:08:16,287 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8 2025-08-31T10:08:16,289 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8 2025-08-31T10:08:16,291 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p 2025-08-31T10:08:16,293 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p 2025-08-31T10:08:16,295 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3 2025-08-31T10:08:16,297 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3 2025-08-31T10:08:16,299 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6 2025-08-31T10:08:16,300 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6 2025-08-31T10:08:16,303 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p 2025-08-31T10:08:16,304 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p 2025-08-31T10:08:16,307 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly 2025-08-31T10:08:16,309 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly 2025-08-31T10:08:16,311 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p 2025-08-31T10:08:16,313 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p 2025-08-31T10:08:16,315 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp 2025-08-31T10:08:16,317 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp 2025-08-31T10:08:16,319 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p 2025-08-31T10:08:16,321 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p 2025-08-31T10:08:16,323 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p 2025-08-31T10:08:16,325 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p 2025-08-31T10:08:16,327 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass 2025-08-31T10:08:16,329 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass 2025-08-31T10:08:16,331 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s 2025-08-31T10:08:16,332 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s 2025-08-31T10:08:16,335 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol 2025-08-31T10:08:16,336 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol 2025-08-31T10:08:16,338 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T 2025-08-31T10:08:16,340 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T 2025-08-31T10:08:16,342 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp 2025-08-31T10:08:16,343 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp 2025-08-31T10:08:16,346 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys 2025-08-31T10:08:16,347 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys 2025-08-31T10:08:16,350 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op 2025-08-31T10:08:16,351 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op 2025-08-31T10:08:16,354 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp 2025-08-31T10:08:16,355 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp 2025-08-31T10:08:16,358 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp 2025-08-31T10:08:16,359 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp 2025-08-31T10:08:16,362 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp 2025-08-31T10:08:16,363 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp 2025-08-31T10:08:16,366 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2 2025-08-31T10:08:16,367 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2 2025-08-31T10:08:16,370 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p 2025-08-31T10:08:16,371 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p 2025-08-31T10:08:16,374 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C 2025-08-31T10:08:16,375 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C 2025-08-31T10:08:16,378 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp 2025-08-31T10:08:16,379 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp 2025-08-31T10:08:16,381 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p 2025-08-31T10:08:16,383 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p 2025-08-31T10:08:16,386 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s 2025-08-31T10:08:16,388 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s 2025-08-31T10:08:16,391 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp 2025-08-31T10:08:16,393 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp 2025-08-31T10:08:16,395 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6 2025-08-31T10:08:16,396 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6 2025-08-31T10:08:16,399 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p 2025-08-31T10:08:16,400 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p 2025-08-31T10:08:16,403 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl 2025-08-31T10:08:16,404 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl 2025-08-31T10:08:16,406 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2 2025-08-31T10:08:16,407 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2 2025-08-31T10:08:16,409 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B 2025-08-31T10:08:16,411 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B 2025-08-31T10:08:16,413 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02 2025-08-31T10:08:16,414 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02 2025-08-31T10:08:16,416 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B 2025-08-31T10:08:16,417 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B 2025-08-31T10:08:16,419 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A 2025-08-31T10:08:16,421 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A 2025-08-31T10:08:16,423 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54 2025-08-31T10:08:16,424 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54 2025-08-31T10:08:16,426 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B 2025-08-31T10:08:16,427 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B 2025-08-31T10:08:16,430 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A 2025-08-31T10:08:16,431 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A 2025-08-31T10:08:16,434 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B 2025-08-31T10:08:16,435 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B 2025-08-31T10:08:16,437 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A 2025-08-31T10:08:16,438 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A 2025-08-31T10:08:16,440 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A 2025-08-31T10:08:16,441 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A 2025-08-31T10:08:16,444 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23 2025-08-31T10:08:16,445 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23 2025-08-31T10:08:16,447 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A 2025-08-31T10:08:16,448 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A 2025-08-31T10:08:16,451 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08 2025-08-31T10:08:16,452 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08 2025-08-31T10:08:16,454 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A 2025-08-31T10:08:16,455 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A 2025-08-31T10:08:16,457 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B 2025-08-31T10:08:16,458 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B 2025-08-31T10:08:16,461 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B 2025-08-31T10:08:16,462 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B 2025-08-31T10:08:16,464 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B 2025-08-31T10:08:16,465 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B 2025-08-31T10:08:16,467 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B 2025-08-31T10:08:16,468 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B 2025-08-31T10:08:16,470 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A 2025-08-31T10:08:16,471 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A 2025-08-31T10:08:16,473 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A 2025-08-31T10:08:16,474 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A 2025-08-31T10:08:16,477 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A 2025-08-31T10:08:16,478 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A 2025-08-31T10:08:16,480 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B 2025-08-31T10:08:16,481 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B 2025-08-31T10:08:16,483 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30 2025-08-31T10:08:16,484 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30 2025-08-31T10:08:16,487 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64 2025-08-31T10:08:16,488 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64 2025-08-31T10:08:16,490 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57 2025-08-31T10:08:16,491 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57 2025-08-31T10:08:16,494 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B 2025-08-31T10:08:16,495 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B 2025-08-31T10:08:16,497 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A 2025-08-31T10:08:16,498 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A 2025-08-31T10:08:16,500 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A 2025-08-31T10:08:16,501 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A 2025-08-31T10:08:16,503 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A 2025-08-31T10:08:16,504 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A 2025-08-31T10:08:16,507 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B 2025-08-31T10:08:16,508 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B 2025-08-31T10:08:16,510 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B 2025-08-31T10:08:16,511 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B 2025-08-31T10:08:16,514 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56 2025-08-31T10:08:16,515 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56 2025-08-31T10:08:16,517 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B 2025-08-31T10:08:16,518 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B 2025-08-31T10:08:16,520 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B 2025-08-31T10:08:16,521 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B 2025-08-31T10:08:16,523 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B 2025-08-31T10:08:16,524 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B 2025-08-31T10:08:16,526 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60 2025-08-31T10:08:16,527 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60 2025-08-31T10:08:16,529 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B 2025-08-31T10:08:16,530 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B 2025-08-31T10:08:16,532 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61 2025-08-31T10:08:16,534 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61 2025-08-31T10:08:16,536 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29 2025-08-31T10:08:16,537 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29 2025-08-31T10:08:16,539 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06 2025-08-31T10:08:16,540 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06 2025-08-31T10:08:16,543 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A 2025-08-31T10:08:16,544 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A 2025-08-31T10:08:16,546 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A 2025-08-31T10:08:16,547 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A 2025-08-31T10:08:16,549 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42 2025-08-31T10:08:16,550 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42 2025-08-31T10:08:16,552 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B 2025-08-31T10:08:16,554 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B 2025-08-31T10:08:16,556 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A 2025-08-31T10:08:16,557 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A 2025-08-31T10:08:16,559 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10 2025-08-31T10:08:16,560 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10 2025-08-31T10:08:16,562 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A 2025-08-31T10:08:16,563 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A 2025-08-31T10:08:16,566 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34 2025-08-31T10:08:16,567 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34 2025-08-31T10:08:16,569 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A 2025-08-31T10:08:16,571 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A 2025-08-31T10:08:16,573 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A 2025-08-31T10:08:16,574 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A 2025-08-31T10:08:16,576 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B 2025-08-31T10:08:16,578 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B 2025-08-31T10:08:16,580 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A 2025-08-31T10:08:16,581 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A 2025-08-31T10:08:16,583 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A 2025-08-31T10:08:16,584 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A 2025-08-31T10:08:16,587 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22 2025-08-31T10:08:16,588 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22 2025-08-31T10:08:16,590 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A 2025-08-31T10:08:16,591 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A 2025-08-31T10:08:16,593 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18 2025-08-31T10:08:16,594 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18 2025-08-31T10:08:16,596 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16 2025-08-31T10:08:16,597 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16 2025-08-31T10:08:16,599 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B 2025-08-31T10:08:16,601 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B 2025-08-31T10:08:16,603 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A 2025-08-31T10:08:16,604 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A 2025-08-31T10:08:16,606 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52 2025-08-31T10:08:16,607 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52 2025-08-31T10:08:16,610 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04 2025-08-31T10:08:16,611 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04 2025-08-31T10:08:16,614 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59 2025-08-31T10:08:16,615 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59 2025-08-31T10:08:16,617 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37 2025-08-31T10:08:16,618 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37 2025-08-31T10:08:16,621 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B 2025-08-31T10:08:16,622 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B 2025-08-31T10:08:16,624 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B 2025-08-31T10:08:16,625 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B 2025-08-31T10:08:16,627 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40 2025-08-31T10:08:16,628 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40 2025-08-31T10:08:16,631 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B 2025-08-31T10:08:16,633 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B 2025-08-31T10:08:16,636 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09 2025-08-31T10:08:16,638 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09 2025-08-31T10:08:16,641 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B 2025-08-31T10:08:16,642 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B 2025-08-31T10:08:16,645 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A 2025-08-31T10:08:16,647 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A 2025-08-31T10:08:16,650 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28 2025-08-31T10:08:16,652 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28 2025-08-31T10:08:16,656 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36 2025-08-31T10:08:16,658 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36 2025-08-31T10:08:16,661 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A 2025-08-31T10:08:16,662 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A 2025-08-31T10:08:16,665 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47 2025-08-31T10:08:16,667 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47 2025-08-31T10:08:16,670 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A 2025-08-31T10:08:16,672 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A 2025-08-31T10:08:16,675 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A 2025-08-31T10:08:16,676 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A 2025-08-31T10:08:16,679 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B 2025-08-31T10:08:16,681 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B 2025-08-31T10:08:16,684 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B 2025-08-31T10:08:16,685 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B 2025-08-31T10:08:16,689 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A 2025-08-31T10:08:16,690 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A 2025-08-31T10:08:16,694 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B 2025-08-31T10:08:16,695 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B 2025-08-31T10:08:16,699 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B 2025-08-31T10:08:16,700 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B 2025-08-31T10:08:16,704 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21 2025-08-31T10:08:16,705 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21 2025-08-31T10:08:16,708 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A 2025-08-31T10:08:16,710 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A 2025-08-31T10:08:16,713 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65 2025-08-31T10:08:16,714 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65 2025-08-31T10:08:16,717 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66 2025-08-31T10:08:16,719 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66 2025-08-31T10:08:16,722 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B 2025-08-31T10:08:16,724 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B 2025-08-31T10:08:16,727 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B 2025-08-31T10:08:16,729 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B 2025-08-31T10:08:16,732 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13 2025-08-31T10:08:16,733 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13 2025-08-31T10:08:16,736 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B 2025-08-31T10:08:16,737 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B 2025-08-31T10:08:16,739 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B 2025-08-31T10:08:16,740 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B 2025-08-31T10:08:16,742 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58 2025-08-31T10:08:16,744 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58 2025-08-31T10:08:16,746 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25 2025-08-31T10:08:16,747 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25 2025-08-31T10:08:16,750 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B 2025-08-31T10:08:16,751 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B 2025-08-31T10:08:16,753 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32 2025-08-31T10:08:16,754 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32 2025-08-31T10:08:16,756 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A 2025-08-31T10:08:16,758 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A 2025-08-31T10:08:16,760 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A 2025-08-31T10:08:16,761 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A 2025-08-31T10:08:16,763 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A 2025-08-31T10:08:16,764 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A 2025-08-31T10:08:16,767 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A 2025-08-31T10:08:16,768 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A 2025-08-31T10:08:16,770 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B 2025-08-31T10:08:16,771 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B 2025-08-31T10:08:16,773 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A 2025-08-31T10:08:16,775 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A 2025-08-31T10:08:16,777 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B 2025-08-31T10:08:16,778 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B 2025-08-31T10:08:16,780 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41 2025-08-31T10:08:16,782 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41 2025-08-31T10:08:16,784 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14 2025-08-31T10:08:16,785 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14 2025-08-31T10:08:16,788 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A 2025-08-31T10:08:16,789 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A 2025-08-31T10:08:16,792 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A 2025-08-31T10:08:16,793 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A 2025-08-31T10:08:16,796 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A 2025-08-31T10:08:16,797 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A 2025-08-31T10:08:16,799 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A 2025-08-31T10:08:16,800 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A 2025-08-31T10:08:16,803 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A 2025-08-31T10:08:16,804 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A 2025-08-31T10:08:16,806 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15 2025-08-31T10:08:16,808 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15 2025-08-31T10:08:16,810 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A 2025-08-31T10:08:16,811 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A 2025-08-31T10:08:16,813 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B 2025-08-31T10:08:16,814 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B 2025-08-31T10:08:16,817 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A 2025-08-31T10:08:16,818 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A 2025-08-31T10:08:16,820 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38 2025-08-31T10:08:16,821 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38 2025-08-31T10:08:16,824 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24 2025-08-31T10:08:16,825 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24 2025-08-31T10:08:16,827 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B 2025-08-31T10:08:16,829 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B 2025-08-31T10:08:16,831 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B 2025-08-31T10:08:16,832 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B 2025-08-31T10:08:16,834 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B 2025-08-31T10:08:16,835 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B 2025-08-31T10:08:16,838 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A 2025-08-31T10:08:16,839 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A 2025-08-31T10:08:16,841 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B 2025-08-31T10:08:16,842 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B 2025-08-31T10:08:16,845 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19 2025-08-31T10:08:16,846 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19 2025-08-31T10:08:16,848 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01 2025-08-31T10:08:16,849 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01 2025-08-31T10:08:16,852 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B 2025-08-31T10:08:16,853 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B 2025-08-31T10:08:16,855 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A 2025-08-31T10:08:16,856 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A 2025-08-31T10:08:16,859 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A 2025-08-31T10:08:16,860 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A 2025-08-31T10:08:16,862 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31 2025-08-31T10:08:16,863 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31 2025-08-31T10:08:16,866 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45 2025-08-31T10:08:16,867 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45 2025-08-31T10:08:16,869 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B 2025-08-31T10:08:16,870 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B 2025-08-31T10:08:16,873 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50 2025-08-31T10:08:16,874 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50 2025-08-31T10:08:16,876 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B 2025-08-31T10:08:16,877 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B 2025-08-31T10:08:16,880 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26 2025-08-31T10:08:16,881 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26 2025-08-31T10:08:16,884 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A 2025-08-31T10:08:16,885 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A 2025-08-31T10:08:16,887 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B 2025-08-31T10:08:16,888 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B 2025-08-31T10:08:16,891 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B 2025-08-31T10:08:16,892 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B 2025-08-31T10:08:16,894 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46 2025-08-31T10:08:16,895 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46 2025-08-31T10:08:16,898 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A 2025-08-31T10:08:16,899 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A 2025-08-31T10:08:16,901 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03 2025-08-31T10:08:16,902 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03 2025-08-31T10:08:16,904 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B 2025-08-31T10:08:16,905 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B 2025-08-31T10:08:16,908 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B 2025-08-31T10:08:16,909 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B 2025-08-31T10:08:16,911 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20 2025-08-31T10:08:16,912 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20 2025-08-31T10:08:16,915 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B 2025-08-31T10:08:16,916 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B 2025-08-31T10:08:16,919 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B 2025-08-31T10:08:16,921 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B 2025-08-31T10:08:16,924 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B 2025-08-31T10:08:16,925 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B 2025-08-31T10:08:16,927 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43 2025-08-31T10:08:16,928 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43 2025-08-31T10:08:16,931 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B 2025-08-31T10:08:16,932 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B 2025-08-31T10:08:16,934 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44 2025-08-31T10:08:16,935 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44 2025-08-31T10:08:16,937 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A 2025-08-31T10:08:16,939 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A 2025-08-31T10:08:16,941 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A 2025-08-31T10:08:16,942 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A 2025-08-31T10:08:16,944 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A 2025-08-31T10:08:16,945 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A 2025-08-31T10:08:16,948 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A 2025-08-31T10:08:16,949 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A 2025-08-31T10:08:16,951 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A 2025-08-31T10:08:16,952 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A 2025-08-31T10:08:16,954 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A 2025-08-31T10:08:16,955 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A 2025-08-31T10:08:16,957 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A 2025-08-31T10:08:16,958 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A 2025-08-31T10:08:16,960 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B 2025-08-31T10:08:16,962 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B 2025-08-31T10:08:16,964 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B 2025-08-31T10:08:16,965 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B 2025-08-31T10:08:16,967 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A 2025-08-31T10:08:16,968 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A 2025-08-31T10:08:16,970 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B 2025-08-31T10:08:16,971 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B 2025-08-31T10:08:16,974 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A 2025-08-31T10:08:16,975 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A 2025-08-31T10:08:16,977 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B 2025-08-31T10:08:16,978 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B 2025-08-31T10:08:16,981 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33 2025-08-31T10:08:16,982 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33 2025-08-31T10:08:16,984 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12 2025-08-31T10:08:16,985 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12 2025-08-31T10:08:16,987 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53 2025-08-31T10:08:16,988 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53 2025-08-31T10:08:16,991 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A 2025-08-31T10:08:16,992 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A 2025-08-31T10:08:16,994 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17 2025-08-31T10:08:16,995 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17 2025-08-31T10:08:16,997 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55 2025-08-31T10:08:16,998 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55 2025-08-31T10:08:17,000 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B 2025-08-31T10:08:17,001 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B 2025-08-31T10:08:17,003 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35 2025-08-31T10:08:17,004 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35 2025-08-31T10:08:17,007 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A 2025-08-31T10:08:17,008 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A 2025-08-31T10:08:17,010 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B 2025-08-31T10:08:17,011 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B 2025-08-31T10:08:17,013 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B 2025-08-31T10:08:17,014 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B 2025-08-31T10:08:17,016 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A 2025-08-31T10:08:17,017 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A 2025-08-31T10:08:17,019 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B 2025-08-31T10:08:17,020 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B 2025-08-31T10:08:17,022 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51 2025-08-31T10:08:17,024 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51 2025-08-31T10:08:17,026 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A 2025-08-31T10:08:17,027 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A 2025-08-31T10:08:17,029 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B 2025-08-31T10:08:17,030 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B 2025-08-31T10:08:17,032 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A 2025-08-31T10:08:17,033 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A 2025-08-31T10:08:17,036 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39 2025-08-31T10:08:17,037 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39 2025-08-31T10:08:17,039 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49 2025-08-31T10:08:17,040 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49 2025-08-31T10:08:17,043 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A 2025-08-31T10:08:17,044 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A 2025-08-31T10:08:17,046 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A 2025-08-31T10:08:17,047 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A 2025-08-31T10:08:17,050 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05 2025-08-31T10:08:17,051 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05 2025-08-31T10:08:17,053 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B 2025-08-31T10:08:17,054 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B 2025-08-31T10:08:17,056 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B 2025-08-31T10:08:17,057 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B 2025-08-31T10:08:17,059 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B 2025-08-31T10:08:17,061 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B 2025-08-31T10:08:17,063 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B 2025-08-31T10:08:17,064 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B 2025-08-31T10:08:17,066 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48 2025-08-31T10:08:17,067 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48 2025-08-31T10:08:17,069 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63 2025-08-31T10:08:17,070 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63 2025-08-31T10:08:17,072 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B 2025-08-31T10:08:17,073 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B 2025-08-31T10:08:17,075 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07 2025-08-31T10:08:17,076 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07 2025-08-31T10:08:17,079 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B 2025-08-31T10:08:17,080 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B 2025-08-31T10:08:17,082 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62 2025-08-31T10:08:17,083 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62 2025-08-31T10:08:17,085 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A 2025-08-31T10:08:17,086 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A 2025-08-31T10:08:17,089 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B 2025-08-31T10:08:17,090 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B 2025-08-31T10:08:17,092 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A 2025-08-31T10:08:17,093 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A 2025-08-31T10:08:17,095 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A 2025-08-31T10:08:17,096 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A 2025-08-31T10:08:17,098 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A 2025-08-31T10:08:17,100 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A 2025-08-31T10:08:17,102 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11 2025-08-31T10:08:17,103 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11 2025-08-31T10:08:17,105 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A 2025-08-31T10:08:17,106 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A 2025-08-31T10:08:17,108 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27 2025-08-31T10:08:17,109 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27 2025-08-31T10:08:17,112 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip 2025-08-31T10:08:17,113 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip 2025-08-31T10:08:17,115 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add 2025-08-31T10:08:17,117 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add 2025-08-31T10:08:17,119 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl 2025-08-31T10:08:17,120 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl 2025-08-31T10:08:17,122 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb 2025-08-31T10:08:17,123 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb 2025-08-31T10:08:17,125 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2 2025-08-31T10:08:17,126 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2 2025-08-31T10:08:17,128 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2 2025-08-31T10:08:17,129 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2 2025-08-31T10:08:17,131 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8 2025-08-31T10:08:17,133 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8 2025-08-31T10:08:17,135 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35 2025-08-31T10:08:17,136 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35 2025-08-31T10:08:17,138 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene 2025-08-31T10:08:17,139 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene 2025-08-31T10:08:17,141 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be 2025-08-31T10:08:17,143 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be 2025-08-31T10:08:17,145 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1 2025-08-31T10:08:17,146 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1 2025-08-31T10:08:17,148 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen 2025-08-31T10:08:17,149 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen 2025-08-31T10:08:17,151 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3 2025-08-31T10:08:17,152 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3 2025-08-31T10:08:17,155 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6 2025-08-31T10:08:17,156 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6 2025-08-31T10:08:17,158 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2 2025-08-31T10:08:17,159 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2 2025-08-31T10:08:17,161 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4 2025-08-31T10:08:17,162 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4 2025-08-31T10:08:17,165 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4 2025-08-31T10:08:17,166 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4 2025-08-31T10:08:17,168 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2 2025-08-31T10:08:17,169 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2 2025-08-31T10:08:17,172 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6 2025-08-31T10:08:17,173 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6 2025-08-31T10:08:17,175 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35 2025-08-31T10:08:17,176 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35 2025-08-31T10:08:17,178 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen 2025-08-31T10:08:17,179 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen 2025-08-31T10:08:17,181 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2 2025-08-31T10:08:17,182 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2 2025-08-31T10:08:17,185 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne 2025-08-31T10:08:17,186 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne 2025-08-31T10:08:17,188 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36 2025-08-31T10:08:17,189 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36 2025-08-31T10:08:17,191 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36 2025-08-31T10:08:17,192 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36 2025-08-31T10:08:17,194 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add 2025-08-31T10:08:17,195 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add 2025-08-31T10:08:17,198 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage 2025-08-31T10:08:17,199 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage 2025-08-31T10:08:17,201 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1 2025-08-31T10:08:17,202 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1 2025-08-31T10:08:17,205 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL 2025-08-31T10:08:17,206 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL 2025-08-31T10:08:17,208 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41 2025-08-31T10:08:17,209 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41 2025-08-31T10:08:17,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3 2025-08-31T10:08:17,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3 2025-08-31T10:08:17,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6 2025-08-31T10:08:17,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6 2025-08-31T10:08:17,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2 2025-08-31T10:08:17,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2 2025-08-31T10:08:17,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6 2025-08-31T10:08:17,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6 2025-08-31T10:08:17,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6 2025-08-31T10:08:17,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6 2025-08-31T10:08:17,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3 2025-08-31T10:08:17,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3 2025-08-31T10:08:17,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6 2025-08-31T10:08:17,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6 2025-08-31T10:08:17,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4 2025-08-31T10:08:17,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4 2025-08-31T10:08:17,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5 2025-08-31T10:08:17,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5 2025-08-31T10:08:17,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3 2025-08-31T10:08:17,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3 2025-08-31T10:08:17,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3 2025-08-31T10:08:17,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3 2025-08-31T10:08:17,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137 2025-08-31T10:08:17,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137 2025-08-31T10:08:17,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+ 2025-08-31T10:08:17,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+ 2025-08-31T10:08:17,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+ 2025-08-31T10:08:17,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+ 2025-08-31T10:08:17,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74 2025-08-31T10:08:17,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74 2025-08-31T10:08:17,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71 2025-08-31T10:08:17,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71 2025-08-31T10:08:17,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79 2025-08-31T10:08:17,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79 2025-08-31T10:08:17,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80 2025-08-31T10:08:17,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80 2025-08-31T10:08:17,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p 2025-08-31T10:08:17,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p 2025-08-31T10:08:17,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8 2025-08-31T10:08:17,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8 2025-08-31T10:08:17,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76 2025-08-31T10:08:17,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76 2025-08-31T10:08:17,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30 2025-08-31T10:08:17,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30 2025-08-31T10:08:17,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al 2025-08-31T10:08:17,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al 2025-08-31T10:08:17,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+ 2025-08-31T10:08:17,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+ 2025-08-31T10:08:17,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c 2025-08-31T10:08:17,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c 2025-08-31T10:08:17,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be 2025-08-31T10:08:17,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be 2025-08-31T10:08:17,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+ 2025-08-31T10:08:17,300 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+ 2025-08-31T10:08:17,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n 2025-08-31T10:08:17,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n 2025-08-31T10:08:17,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+ 2025-08-31T10:08:17,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+ 2025-08-31T10:08:17,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64 2025-08-31T10:08:17,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64 2025-08-31T10:08:17,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34 2025-08-31T10:08:17,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34 2025-08-31T10:08:17,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s 2025-08-31T10:08:17,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s 2025-08-31T10:08:17,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+ 2025-08-31T10:08:17,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+ 2025-08-31T10:08:17,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75 2025-08-31T10:08:17,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75 2025-08-31T10:08:17,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59 2025-08-31T10:08:17,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59 2025-08-31T10:08:17,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73 2025-08-31T10:08:17,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73 2025-08-31T10:08:17,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22 2025-08-31T10:08:17,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22 2025-08-31T10:08:17,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18 2025-08-31T10:08:17,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18 2025-08-31T10:08:17,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37 2025-08-31T10:08:17,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37 2025-08-31T10:08:17,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+ 2025-08-31T10:08:17,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+ 2025-08-31T10:08:17,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72 2025-08-31T10:08:17,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72 2025-08-31T10:08:17,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67 2025-08-31T10:08:17,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67 2025-08-31T10:08:17,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68 2025-08-31T10:08:17,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68 2025-08-31T10:08:17,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+ 2025-08-31T10:08:17,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+ 2025-08-31T10:08:17,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o 2025-08-31T10:08:17,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o 2025-08-31T10:08:17,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13 2025-08-31T10:08:17,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13 2025-08-31T10:08:17,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25 2025-08-31T10:08:17,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25 2025-08-31T10:08:17,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77 2025-08-31T10:08:17,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77 2025-08-31T10:08:17,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14 2025-08-31T10:08:17,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14 2025-08-31T10:08:17,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg 2025-08-31T10:08:17,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg 2025-08-31T10:08:17,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19 2025-08-31T10:08:17,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19 2025-08-31T10:08:17,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+ 2025-08-31T10:08:17,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+ 2025-08-31T10:08:17,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60 2025-08-31T10:08:17,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60 2025-08-31T10:08:17,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+ 2025-08-31T10:08:17,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+ 2025-08-31T10:08:17,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45 2025-08-31T10:08:17,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45 2025-08-31T10:08:17,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26 2025-08-31T10:08:17,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26 2025-08-31T10:08:17,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl 2025-08-31T10:08:17,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl 2025-08-31T10:08:17,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78 2025-08-31T10:08:17,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78 2025-08-31T10:08:17,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b 2025-08-31T10:08:17,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b 2025-08-31T10:08:17,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li 2025-08-31T10:08:17,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li 2025-08-31T10:08:17,412 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20 2025-08-31T10:08:17,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20 2025-08-31T10:08:17,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66 2025-08-31T10:08:17,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66 2025-08-31T10:08:17,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43 2025-08-31T10:08:17,420 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43 2025-08-31T10:08:17,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44 2025-08-31T10:08:17,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44 2025-08-31T10:08:17,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62 2025-08-31T10:08:17,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62 2025-08-31T10:08:17,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h 2025-08-31T10:08:17,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h 2025-08-31T10:08:17,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+ 2025-08-31T10:08:17,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+ 2025-08-31T10:08:17,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na 2025-08-31T10:08:17,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na 2025-08-31T10:08:17,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65 2025-08-31T10:08:17,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65 2025-08-31T10:08:17,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+ 2025-08-31T10:08:17,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+ 2025-08-31T10:08:17,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61 2025-08-31T10:08:17,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61 2025-08-31T10:08:17,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si 2025-08-31T10:08:17,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si 2025-08-31T10:08:17,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12 2025-08-31T10:08:17,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12 2025-08-31T10:08:17,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63 2025-08-31T10:08:17,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63 2025-08-31T10:08:17,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70 2025-08-31T10:08:17,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70 2025-08-31T10:08:17,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51 2025-08-31T10:08:17,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51 2025-08-31T10:08:17,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f 2025-08-31T10:08:17,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f 2025-08-31T10:08:17,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+ 2025-08-31T10:08:17,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+ 2025-08-31T10:08:17,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48 2025-08-31T10:08:17,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48 2025-08-31T10:08:17,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65 2025-08-31T10:08:17,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65 2025-08-31T10:08:17,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11 2025-08-31T10:08:17,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11 2025-08-31T10:08:17,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+ 2025-08-31T10:08:17,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+ 2025-08-31T10:08:17,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans 2025-08-31T10:08:17,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans 2025-08-31T10:08:17,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180 2025-08-31T10:08:17,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180 2025-08-31T10:08:17,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans 2025-08-31T10:08:17,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans 2025-08-31T10:08:17,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120 2025-08-31T10:08:17,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120 2025-08-31T10:08:17,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis 2025-08-31T10:08:17,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis 2025-08-31T10:08:17,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2 2025-08-31T10:08:17,504 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2 2025-08-31T10:08:17,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2 2025-08-31T10:08:17,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2 2025-08-31T10:08:17,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn 2025-08-31T10:08:17,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn 2025-08-31T10:08:17,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis 2025-08-31T10:08:17,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis 2025-08-31T10:08:17,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis 2025-08-31T10:08:17,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis 2025-08-31T10:08:17,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2 2025-08-31T10:08:17,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2 2025-08-31T10:08:17,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1 2025-08-31T10:08:17,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1 2025-08-31T10:08:17,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS 2025-08-31T10:08:17,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS 2025-08-31T10:08:17,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti 2025-08-31T10:08:17,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti 2025-08-31T10:08:17,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl 2025-08-31T10:08:17,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl 2025-08-31T10:08:17,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2 2025-08-31T10:08:17,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2 2025-08-31T10:08:17,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180 2025-08-31T10:08:17,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180 2025-08-31T10:08:17,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st 2025-08-31T10:08:17,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st 2025-08-31T10:08:17,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0 2025-08-31T10:08:17,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0 2025-08-31T10:08:17,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1 2025-08-31T10:08:17,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1 2025-08-31T10:08:17,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0 2025-08-31T10:08:17,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0 2025-08-31T10:08:17,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans 2025-08-31T10:08:17,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans 2025-08-31T10:08:17,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn 2025-08-31T10:08:17,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn 2025-08-31T10:08:17,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl 2025-08-31T10:08:17,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl 2025-08-31T10:08:17,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1 2025-08-31T10:08:17,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1 2025-08-31T10:08:17,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2 2025-08-31T10:08:17,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2 2025-08-31T10:08:17,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1 2025-08-31T10:08:17,574 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1 2025-08-31T10:08:17,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS 2025-08-31T10:08:17,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS 2025-08-31T10:08:17,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl 2025-08-31T10:08:17,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl 2025-08-31T10:08:17,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2 2025-08-31T10:08:17,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2 2025-08-31T10:08:17,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1 2025-08-31T10:08:17,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1 2025-08-31T10:08:17,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st 2025-08-31T10:08:17,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st 2025-08-31T10:08:17,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl 2025-08-31T10:08:17,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl 2025-08-31T10:08:17,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl 2025-08-31T10:08:17,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl 2025-08-31T10:08:17,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st 2025-08-31T10:08:17,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st 2025-08-31T10:08:17,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti 2025-08-31T10:08:17,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti 2025-08-31T10:08:17,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS 2025-08-31T10:08:17,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS 2025-08-31T10:08:17,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC 2025-08-31T10:08:17,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC 2025-08-31T10:08:17,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS 2025-08-31T10:08:17,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS 2025-08-31T10:08:17,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60 2025-08-31T10:08:17,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60 2025-08-31T10:08:17,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a 2025-08-31T10:08:17,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a 2025-08-31T10:08:17,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a 2025-08-31T10:08:17,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a 2025-08-31T10:08:17,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23 2025-08-31T10:08:17,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23 2025-08-31T10:08:17,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4 2025-08-31T10:08:17,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4 2025-08-31T10:08:17,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a 2025-08-31T10:08:17,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a 2025-08-31T10:08:17,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a 2025-08-31T10:08:17,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a 2025-08-31T10:08:17,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b 2025-08-31T10:08:17,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b 2025-08-31T10:08:17,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8 2025-08-31T10:08:17,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8 2025-08-31T10:08:17,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b 2025-08-31T10:08:17,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b 2025-08-31T10:08:17,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b 2025-08-31T10:08:17,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b 2025-08-31T10:08:17,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b 2025-08-31T10:08:17,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b 2025-08-31T10:08:17,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3 2025-08-31T10:08:17,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3 2025-08-31T10:08:17,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a 2025-08-31T10:08:17,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a 2025-08-31T10:08:17,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a 2025-08-31T10:08:17,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a 2025-08-31T10:08:17,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b 2025-08-31T10:08:17,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b 2025-08-31T10:08:17,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a 2025-08-31T10:08:17,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a 2025-08-31T10:08:17,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b 2025-08-31T10:08:17,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b 2025-08-31T10:08:17,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10 2025-08-31T10:08:17,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10 2025-08-31T10:08:17,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b 2025-08-31T10:08:17,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b 2025-08-31T10:08:17,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b 2025-08-31T10:08:17,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b 2025-08-31T10:08:17,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a 2025-08-31T10:08:17,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a 2025-08-31T10:08:17,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a 2025-08-31T10:08:17,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a 2025-08-31T10:08:17,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a 2025-08-31T10:08:17,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a 2025-08-31T10:08:17,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a 2025-08-31T10:08:17,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a 2025-08-31T10:08:17,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22 2025-08-31T10:08:17,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22 2025-08-31T10:08:17,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18 2025-08-31T10:08:17,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18 2025-08-31T10:08:17,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16 2025-08-31T10:08:17,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16 2025-08-31T10:08:17,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7 2025-08-31T10:08:17,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7 2025-08-31T10:08:17,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a 2025-08-31T10:08:17,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a 2025-08-31T10:08:17,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21 2025-08-31T10:08:17,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21 2025-08-31T10:08:17,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b 2025-08-31T10:08:17,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b 2025-08-31T10:08:17,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13 2025-08-31T10:08:17,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13 2025-08-31T10:08:17,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a 2025-08-31T10:08:17,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a 2025-08-31T10:08:17,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6 2025-08-31T10:08:17,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6 2025-08-31T10:08:17,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a 2025-08-31T10:08:17,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a 2025-08-31T10:08:17,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a 2025-08-31T10:08:17,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a 2025-08-31T10:08:17,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14 2025-08-31T10:08:17,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14 2025-08-31T10:08:17,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a 2025-08-31T10:08:17,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a 2025-08-31T10:08:17,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a 2025-08-31T10:08:17,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a 2025-08-31T10:08:17,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1 2025-08-31T10:08:17,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1 2025-08-31T10:08:17,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15 2025-08-31T10:08:17,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15 2025-08-31T10:08:17,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19 2025-08-31T10:08:17,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19 2025-08-31T10:08:17,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b 2025-08-31T10:08:17,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b 2025-08-31T10:08:17,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b 2025-08-31T10:08:17,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b 2025-08-31T10:08:17,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b 2025-08-31T10:08:17,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b 2025-08-31T10:08:17,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2 2025-08-31T10:08:17,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2 2025-08-31T10:08:17,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20 2025-08-31T10:08:17,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20 2025-08-31T10:08:17,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b 2025-08-31T10:08:17,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b 2025-08-31T10:08:17,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5 2025-08-31T10:08:17,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5 2025-08-31T10:08:17,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b 2025-08-31T10:08:17,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b 2025-08-31T10:08:17,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b 2025-08-31T10:08:17,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b 2025-08-31T10:08:17,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b 2025-08-31T10:08:17,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b 2025-08-31T10:08:17,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b 2025-08-31T10:08:17,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b 2025-08-31T10:08:17,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b 2025-08-31T10:08:17,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b 2025-08-31T10:08:17,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12 2025-08-31T10:08:17,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12 2025-08-31T10:08:17,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b 2025-08-31T10:08:17,808 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b 2025-08-31T10:08:17,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17 2025-08-31T10:08:17,812 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17 2025-08-31T10:08:17,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9 2025-08-31T10:08:17,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9 2025-08-31T10:08:17,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a 2025-08-31T10:08:17,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a 2025-08-31T10:08:17,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b 2025-08-31T10:08:17,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b 2025-08-31T10:08:17,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a 2025-08-31T10:08:17,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a 2025-08-31T10:08:17,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b 2025-08-31T10:08:17,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b 2025-08-31T10:08:17,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b 2025-08-31T10:08:17,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b 2025-08-31T10:08:17,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a 2025-08-31T10:08:17,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a 2025-08-31T10:08:17,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a 2025-08-31T10:08:17,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a 2025-08-31T10:08:17,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b 2025-08-31T10:08:17,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b 2025-08-31T10:08:17,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a 2025-08-31T10:08:17,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a 2025-08-31T10:08:17,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a 2025-08-31T10:08:17,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a 2025-08-31T10:08:17,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11 2025-08-31T10:08:17,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11 2025-08-31T10:08:17,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1 2025-08-31T10:08:17,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1 2025-08-31T10:08:17,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3 2025-08-31T10:08:17,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3 2025-08-31T10:08:17,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4 2025-08-31T10:08:17,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4 2025-08-31T10:08:17,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1 2025-08-31T10:08:17,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1 2025-08-31T10:08:17,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3 2025-08-31T10:08:17,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3 2025-08-31T10:08:17,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10 2025-08-31T10:08:17,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10 2025-08-31T10:08:17,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10 2025-08-31T10:08:17,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10 2025-08-31T10:08:17,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9 2025-08-31T10:08:17,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9 2025-08-31T10:08:17,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9 2025-08-31T10:08:17,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9 2025-08-31T10:08:17,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8 2025-08-31T10:08:17,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8 2025-08-31T10:08:17,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5 2025-08-31T10:08:17,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5 2025-08-31T10:08:17,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5 2025-08-31T10:08:17,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5 2025-08-31T10:08:17,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2 2025-08-31T10:08:17,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2 2025-08-31T10:08:17,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7 2025-08-31T10:08:17,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7 2025-08-31T10:08:17,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4 2025-08-31T10:08:17,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4 2025-08-31T10:08:17,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6 2025-08-31T10:08:17,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6 2025-08-31T10:08:17,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6 2025-08-31T10:08:17,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6 2025-08-31T10:08:17,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8 2025-08-31T10:08:17,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8 2025-08-31T10:08:17,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2 2025-08-31T10:08:17,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2 2025-08-31T10:08:17,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7 2025-08-31T10:08:17,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7 2025-08-31T10:08:17,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02 2025-08-31T10:08:17,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02 2025-08-31T10:08:17,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a 2025-08-31T10:08:17,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a 2025-08-31T10:08:17,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a 2025-08-31T10:08:17,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a 2025-08-31T10:08:17,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08 2025-08-31T10:08:17,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08 2025-08-31T10:08:17,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a 2025-08-31T10:08:17,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a 2025-08-31T10:08:17,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b 2025-08-31T10:08:17,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b 2025-08-31T10:08:17,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b 2025-08-31T10:08:17,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b 2025-08-31T10:08:17,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a 2025-08-31T10:08:17,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a 2025-08-31T10:08:17,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b 2025-08-31T10:08:17,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b 2025-08-31T10:08:17,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a 2025-08-31T10:08:17,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a 2025-08-31T10:08:17,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06 2025-08-31T10:08:17,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06 2025-08-31T10:08:17,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a 2025-08-31T10:08:17,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a 2025-08-31T10:08:17,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10 2025-08-31T10:08:17,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10 2025-08-31T10:08:17,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a 2025-08-31T10:08:17,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a 2025-08-31T10:08:17,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a 2025-08-31T10:08:17,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a 2025-08-31T10:08:17,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b 2025-08-31T10:08:17,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b 2025-08-31T10:08:17,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a 2025-08-31T10:08:17,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a 2025-08-31T10:08:17,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22 2025-08-31T10:08:17,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22 2025-08-31T10:08:17,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18 2025-08-31T10:08:17,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18 2025-08-31T10:08:17,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16 2025-08-31T10:08:17,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16 2025-08-31T10:08:17,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04 2025-08-31T10:08:18,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04 2025-08-31T10:08:18,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a 2025-08-31T10:08:18,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a 2025-08-31T10:08:18,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a 2025-08-31T10:08:18,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a 2025-08-31T10:08:18,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09 2025-08-31T10:08:18,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09 2025-08-31T10:08:18,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a 2025-08-31T10:08:18,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a 2025-08-31T10:08:18,016 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b 2025-08-31T10:08:18,017 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b 2025-08-31T10:08:18,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21 2025-08-31T10:08:18,021 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21 2025-08-31T10:08:18,023 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13 2025-08-31T10:08:18,024 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13 2025-08-31T10:08:18,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a 2025-08-31T10:08:18,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a 2025-08-31T10:08:18,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14 2025-08-31T10:08:18,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14 2025-08-31T10:08:18,033 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a 2025-08-31T10:08:18,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a 2025-08-31T10:08:18,036 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a 2025-08-31T10:08:18,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a 2025-08-31T10:08:18,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15 2025-08-31T10:08:18,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15 2025-08-31T10:08:18,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a 2025-08-31T10:08:18,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a 2025-08-31T10:08:18,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19 2025-08-31T10:08:18,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19 2025-08-31T10:08:18,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01 2025-08-31T10:08:18,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01 2025-08-31T10:08:18,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b 2025-08-31T10:08:18,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b 2025-08-31T10:08:18,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03 2025-08-31T10:08:18,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03 2025-08-31T10:08:18,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20 2025-08-31T10:08:18,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20 2025-08-31T10:08:18,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b 2025-08-31T10:08:18,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b 2025-08-31T10:08:18,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b 2025-08-31T10:08:18,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b 2025-08-31T10:08:18,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b 2025-08-31T10:08:18,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b 2025-08-31T10:08:18,073 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b 2025-08-31T10:08:18,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b 2025-08-31T10:08:18,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12 2025-08-31T10:08:18,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12 2025-08-31T10:08:18,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b 2025-08-31T10:08:18,081 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b 2025-08-31T10:08:18,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17 2025-08-31T10:08:18,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17 2025-08-31T10:08:18,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a 2025-08-31T10:08:18,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a 2025-08-31T10:08:18,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a 2025-08-31T10:08:18,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a 2025-08-31T10:08:18,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05 2025-08-31T10:08:18,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05 2025-08-31T10:08:18,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b 2025-08-31T10:08:18,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b 2025-08-31T10:08:18,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a 2025-08-31T10:08:18,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a 2025-08-31T10:08:18,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b 2025-08-31T10:08:18,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b 2025-08-31T10:08:18,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a 2025-08-31T10:08:18,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a 2025-08-31T10:08:18,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07 2025-08-31T10:08:18,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07 2025-08-31T10:08:18,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a 2025-08-31T10:08:18,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a 2025-08-31T10:08:18,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a 2025-08-31T10:08:18,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a 2025-08-31T10:08:18,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11 2025-08-31T10:08:18,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11 2025-08-31T10:08:18,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab 2025-08-31T10:08:18,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab 2025-08-31T10:08:18,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag 2025-08-31T10:08:18,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag 2025-08-31T10:08:18,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah 2025-08-31T10:08:18,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah 2025-08-31T10:08:18,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad 2025-08-31T10:08:18,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad 2025-08-31T10:08:18,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag 2025-08-31T10:08:18,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag 2025-08-31T10:08:18,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab 2025-08-31T10:08:18,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab 2025-08-31T10:08:18,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf 2025-08-31T10:08:18,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf 2025-08-31T10:08:18,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae 2025-08-31T10:08:18,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae 2025-08-31T10:08:18,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf 2025-08-31T10:08:18,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf 2025-08-31T10:08:18,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay 2025-08-31T10:08:18,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay 2025-08-31T10:08:18,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag 2025-08-31T10:08:18,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag 2025-08-31T10:08:18,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi 2025-08-31T10:08:18,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi 2025-08-31T10:08:18,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav 2025-08-31T10:08:18,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav 2025-08-31T10:08:18,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj 2025-08-31T10:08:18,169 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj 2025-08-31T10:08:18,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah 2025-08-31T10:08:18,172 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah 2025-08-31T10:08:18,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan 2025-08-31T10:08:18,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan 2025-08-31T10:08:18,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao 2025-08-31T10:08:18,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao 2025-08-31T10:08:18,181 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap 2025-08-31T10:08:18,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap 2025-08-31T10:08:18,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf 2025-08-31T10:08:18,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf 2025-08-31T10:08:18,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah 2025-08-31T10:08:18,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah 2025-08-31T10:08:18,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau 2025-08-31T10:08:18,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau 2025-08-31T10:08:18,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab 2025-08-31T10:08:18,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab 2025-08-31T10:08:18,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf 2025-08-31T10:08:18,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf 2025-08-31T10:08:18,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag 2025-08-31T10:08:18,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag 2025-08-31T10:08:18,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan 2025-08-31T10:08:18,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan 2025-08-31T10:08:18,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad 2025-08-31T10:08:18,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad 2025-08-31T10:08:18,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx 2025-08-31T10:08:18,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx 2025-08-31T10:08:18,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq 2025-08-31T10:08:18,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq 2025-08-31T10:08:18,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad 2025-08-31T10:08:18,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad 2025-08-31T10:08:18,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo 2025-08-31T10:08:18,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo 2025-08-31T10:08:18,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac 2025-08-31T10:08:18,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac 2025-08-31T10:08:18,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah 2025-08-31T10:08:18,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah 2025-08-31T10:08:18,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan 2025-08-31T10:08:18,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan 2025-08-31T10:08:18,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar 2025-08-31T10:08:18,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar 2025-08-31T10:08:18,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac 2025-08-31T10:08:18,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac 2025-08-31T10:08:18,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae 2025-08-31T10:08:18,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae 2025-08-31T10:08:18,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal 2025-08-31T10:08:18,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal 2025-08-31T10:08:18,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak 2025-08-31T10:08:18,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak 2025-08-31T10:08:18,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav 2025-08-31T10:08:18,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav 2025-08-31T10:08:18,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar 2025-08-31T10:08:18,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar 2025-08-31T10:08:18,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab 2025-08-31T10:08:18,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab 2025-08-31T10:08:18,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat 2025-08-31T10:08:18,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat 2025-08-31T10:08:18,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab 2025-08-31T10:08:18,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab 2025-08-31T10:08:18,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae 2025-08-31T10:08:18,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae 2025-08-31T10:08:18,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz 2025-08-31T10:08:18,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz 2025-08-31T10:08:18,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak 2025-08-31T10:08:18,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak 2025-08-31T10:08:18,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc 2025-08-31T10:08:18,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc 2025-08-31T10:08:18,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf 2025-08-31T10:08:18,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf 2025-08-31T10:08:18,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah 2025-08-31T10:08:18,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah 2025-08-31T10:08:18,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj 2025-08-31T10:08:18,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj 2025-08-31T10:08:18,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao 2025-08-31T10:08:18,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao 2025-08-31T10:08:18,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad 2025-08-31T10:08:18,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad 2025-08-31T10:08:18,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae 2025-08-31T10:08:18,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae 2025-08-31T10:08:18,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal 2025-08-31T10:08:18,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal 2025-08-31T10:08:18,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb 2025-08-31T10:08:18,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb 2025-08-31T10:08:18,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah 2025-08-31T10:08:18,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah 2025-08-31T10:08:18,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar 2025-08-31T10:08:18,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar 2025-08-31T10:08:18,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap 2025-08-31T10:08:18,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap 2025-08-31T10:08:18,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab 2025-08-31T10:08:18,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab 2025-08-31T10:08:18,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae 2025-08-31T10:08:18,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae 2025-08-31T10:08:18,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah 2025-08-31T10:08:18,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah 2025-08-31T10:08:18,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab 2025-08-31T10:08:18,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab 2025-08-31T10:08:18,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau 2025-08-31T10:08:18,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau 2025-08-31T10:08:18,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci 2025-08-31T10:08:18,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci 2025-08-31T10:08:18,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag 2025-08-31T10:08:18,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag 2025-08-31T10:08:18,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag 2025-08-31T10:08:18,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag 2025-08-31T10:08:18,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag 2025-08-31T10:08:18,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag 2025-08-31T10:08:18,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam 2025-08-31T10:08:18,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam 2025-08-31T10:08:18,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv 2025-08-31T10:08:18,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv 2025-08-31T10:08:18,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak 2025-08-31T10:08:18,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak 2025-08-31T10:08:18,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai 2025-08-31T10:08:18,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai 2025-08-31T10:08:18,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas 2025-08-31T10:08:18,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas 2025-08-31T10:08:18,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal 2025-08-31T10:08:18,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal 2025-08-31T10:08:18,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq 2025-08-31T10:08:18,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq 2025-08-31T10:08:18,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav 2025-08-31T10:08:18,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav 2025-08-31T10:08:18,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac 2025-08-31T10:08:18,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac 2025-08-31T10:08:18,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar 2025-08-31T10:08:18,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar 2025-08-31T10:08:18,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao 2025-08-31T10:08:18,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao 2025-08-31T10:08:18,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag 2025-08-31T10:08:18,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag 2025-08-31T10:08:18,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac 2025-08-31T10:08:18,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac 2025-08-31T10:08:18,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat 2025-08-31T10:08:18,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat 2025-08-31T10:08:18,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai 2025-08-31T10:08:18,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai 2025-08-31T10:08:18,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq 2025-08-31T10:08:18,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq 2025-08-31T10:08:18,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal 2025-08-31T10:08:18,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal 2025-08-31T10:08:18,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad 2025-08-31T10:08:18,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad 2025-08-31T10:08:18,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq 2025-08-31T10:08:18,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq 2025-08-31T10:08:18,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah 2025-08-31T10:08:18,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah 2025-08-31T10:08:18,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby 2025-08-31T10:08:18,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby 2025-08-31T10:08:18,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw 2025-08-31T10:08:18,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw 2025-08-31T10:08:18,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm 2025-08-31T10:08:18,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm 2025-08-31T10:08:18,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj 2025-08-31T10:08:18,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj 2025-08-31T10:08:18,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak 2025-08-31T10:08:18,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak 2025-08-31T10:08:18,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf 2025-08-31T10:08:18,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf 2025-08-31T10:08:18,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap 2025-08-31T10:08:18,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap 2025-08-31T10:08:18,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal 2025-08-31T10:08:18,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal 2025-08-31T10:08:18,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai 2025-08-31T10:08:18,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai 2025-08-31T10:08:18,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad 2025-08-31T10:08:18,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad 2025-08-31T10:08:18,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan 2025-08-31T10:08:18,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan 2025-08-31T10:08:18,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak 2025-08-31T10:08:18,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak 2025-08-31T10:08:18,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad 2025-08-31T10:08:18,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad 2025-08-31T10:08:18,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5 2025-08-31T10:08:18,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5 2025-08-31T10:08:18,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29 2025-08-31T10:08:18,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29 2025-08-31T10:08:18,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1 2025-08-31T10:08:18,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1 2025-08-31T10:08:18,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13 2025-08-31T10:08:18,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13 2025-08-31T10:08:18,485 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17 2025-08-31T10:08:18,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17 2025-08-31T10:08:18,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18 2025-08-31T10:08:18,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18 2025-08-31T10:08:18,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17 2025-08-31T10:08:18,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17 2025-08-31T10:08:18,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15 2025-08-31T10:08:18,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15 2025-08-31T10:08:18,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32 2025-08-31T10:08:18,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32 2025-08-31T10:08:18,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12 2025-08-31T10:08:18,504 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12 2025-08-31T10:08:18,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28 2025-08-31T10:08:18,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28 2025-08-31T10:08:18,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33 2025-08-31T10:08:18,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33 2025-08-31T10:08:18,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18 2025-08-31T10:08:18,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18 2025-08-31T10:08:18,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7 2025-08-31T10:08:18,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7 2025-08-31T10:08:18,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20 2025-08-31T10:08:18,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20 2025-08-31T10:08:18,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14 2025-08-31T10:08:18,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14 2025-08-31T10:08:18,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25 2025-08-31T10:08:18,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25 2025-08-31T10:08:18,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23 2025-08-31T10:08:18,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23 2025-08-31T10:08:18,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8 2025-08-31T10:08:18,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8 2025-08-31T10:08:18,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3 2025-08-31T10:08:18,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3 2025-08-31T10:08:18,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4 2025-08-31T10:08:18,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4 2025-08-31T10:08:18,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7 2025-08-31T10:08:18,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7 2025-08-31T10:08:18,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19 2025-08-31T10:08:18,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19 2025-08-31T10:08:18,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27 2025-08-31T10:08:18,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27 2025-08-31T10:08:18,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30 2025-08-31T10:08:18,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30 2025-08-31T10:08:18,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33 2025-08-31T10:08:18,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33 2025-08-31T10:08:18,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9 2025-08-31T10:08:18,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9 2025-08-31T10:08:18,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27 2025-08-31T10:08:18,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27 2025-08-31T10:08:18,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25 2025-08-31T10:08:18,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25 2025-08-31T10:08:18,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16 2025-08-31T10:08:18,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16 2025-08-31T10:08:18,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21 2025-08-31T10:08:18,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21 2025-08-31T10:08:18,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12 2025-08-31T10:08:18,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12 2025-08-31T10:08:18,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6 2025-08-31T10:08:18,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6 2025-08-31T10:08:18,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31 2025-08-31T10:08:18,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31 2025-08-31T10:08:18,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4 2025-08-31T10:08:18,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4 2025-08-31T10:08:18,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16 2025-08-31T10:08:18,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16 2025-08-31T10:08:18,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20 2025-08-31T10:08:18,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20 2025-08-31T10:08:18,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13 2025-08-31T10:08:18,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13 2025-08-31T10:08:18,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30 2025-08-31T10:08:18,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30 2025-08-31T10:08:18,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24 2025-08-31T10:08:18,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24 2025-08-31T10:08:18,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34 2025-08-31T10:08:18,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34 2025-08-31T10:08:18,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24 2025-08-31T10:08:18,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24 2025-08-31T10:08:18,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34 2025-08-31T10:08:18,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34 2025-08-31T10:08:18,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31 2025-08-31T10:08:18,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31 2025-08-31T10:08:18,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22 2025-08-31T10:08:18,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22 2025-08-31T10:08:18,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8 2025-08-31T10:08:18,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8 2025-08-31T10:08:18,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23 2025-08-31T10:08:18,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23 2025-08-31T10:08:18,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1 2025-08-31T10:08:18,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1 2025-08-31T10:08:18,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26 2025-08-31T10:08:18,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26 2025-08-31T10:08:18,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10 2025-08-31T10:08:18,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10 2025-08-31T10:08:18,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21 2025-08-31T10:08:18,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21 2025-08-31T10:08:18,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9 2025-08-31T10:08:18,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9 2025-08-31T10:08:18,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14 2025-08-31T10:08:18,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14 2025-08-31T10:08:18,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11 2025-08-31T10:08:18,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11 2025-08-31T10:08:18,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32 2025-08-31T10:08:18,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32 2025-08-31T10:08:18,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15 2025-08-31T10:08:18,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15 2025-08-31T10:08:18,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28 2025-08-31T10:08:18,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28 2025-08-31T10:08:18,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26 2025-08-31T10:08:18,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26 2025-08-31T10:08:18,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29 2025-08-31T10:08:18,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29 2025-08-31T10:08:18,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3 2025-08-31T10:08:18,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3 2025-08-31T10:08:18,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2 2025-08-31T10:08:18,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2 2025-08-31T10:08:18,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10 2025-08-31T10:08:18,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10 2025-08-31T10:08:18,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11 2025-08-31T10:08:18,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11 2025-08-31T10:08:18,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2 2025-08-31T10:08:18,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2 2025-08-31T10:08:18,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+ 2025-08-31T10:08:18,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+ 2025-08-31T10:08:18,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+ 2025-08-31T10:08:18,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+ 2025-08-31T10:08:18,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+ 2025-08-31T10:08:18,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+ 2025-08-31T10:08:18,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3 2025-08-31T10:08:18,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3 2025-08-31T10:08:18,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be 2025-08-31T10:08:18,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be 2025-08-31T10:08:18,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4 2025-08-31T10:08:18,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4 2025-08-31T10:08:18,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+ 2025-08-31T10:08:18,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+ 2025-08-31T10:08:18,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+ 2025-08-31T10:08:18,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+ 2025-08-31T10:08:18,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+ 2025-08-31T10:08:18,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+ 2025-08-31T10:08:18,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+ 2025-08-31T10:08:18,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+ 2025-08-31T10:08:18,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3 2025-08-31T10:08:18,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3 2025-08-31T10:08:18,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+ 2025-08-31T10:08:18,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+ 2025-08-31T10:08:18,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg 2025-08-31T10:08:18,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg 2025-08-31T10:08:18,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s 2025-08-31T10:08:18,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s 2025-08-31T10:08:18,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o 2025-08-31T10:08:18,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o 2025-08-31T10:08:18,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+ 2025-08-31T10:08:18,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+ 2025-08-31T10:08:18,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6 2025-08-31T10:08:18,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6 2025-08-31T10:08:18,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+ 2025-08-31T10:08:18,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+ 2025-08-31T10:08:18,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4 2025-08-31T10:08:18,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4 2025-08-31T10:08:18,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62 2025-08-31T10:08:18,760 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62 2025-08-31T10:08:18,762 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24 2025-08-31T10:08:18,763 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24 2025-08-31T10:08:18,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13 2025-08-31T10:08:18,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13 2025-08-31T10:08:18,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42 2025-08-31T10:08:18,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42 2025-08-31T10:08:18,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63 2025-08-31T10:08:18,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63 2025-08-31T10:08:18,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11 2025-08-31T10:08:18,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11 2025-08-31T10:08:18,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10 2025-08-31T10:08:18,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10 2025-08-31T10:08:18,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27 2025-08-31T10:08:18,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27 2025-08-31T10:08:18,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15 2025-08-31T10:08:18,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15 2025-08-31T10:08:18,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21 2025-08-31T10:08:18,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21 2025-08-31T10:08:18,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56 2025-08-31T10:08:18,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56 2025-08-31T10:08:18,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45 2025-08-31T10:08:18,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45 2025-08-31T10:08:18,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3 2025-08-31T10:08:18,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3 2025-08-31T10:08:18,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64 2025-08-31T10:08:18,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64 2025-08-31T10:08:18,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49 2025-08-31T10:08:18,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49 2025-08-31T10:08:18,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44 2025-08-31T10:08:18,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44 2025-08-31T10:08:18,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32 2025-08-31T10:08:18,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32 2025-08-31T10:08:18,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20 2025-08-31T10:08:18,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20 2025-08-31T10:08:18,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35 2025-08-31T10:08:18,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35 2025-08-31T10:08:18,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40 2025-08-31T10:08:18,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40 2025-08-31T10:08:18,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25 2025-08-31T10:08:18,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25 2025-08-31T10:08:18,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14 2025-08-31T10:08:18,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14 2025-08-31T10:08:18,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29 2025-08-31T10:08:18,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29 2025-08-31T10:08:18,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4 2025-08-31T10:08:18,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4 2025-08-31T10:08:18,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22 2025-08-31T10:08:18,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22 2025-08-31T10:08:18,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16 2025-08-31T10:08:18,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16 2025-08-31T10:08:18,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34 2025-08-31T10:08:18,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34 2025-08-31T10:08:18,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28 2025-08-31T10:08:18,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28 2025-08-31T10:08:18,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2 2025-08-31T10:08:18,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2 2025-08-31T10:08:18,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9 2025-08-31T10:08:18,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9 2025-08-31T10:08:18,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18 2025-08-31T10:08:18,896 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18 2025-08-31T10:08:18,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19 2025-08-31T10:08:18,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19 2025-08-31T10:08:18,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50 2025-08-31T10:08:18,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50 2025-08-31T10:08:18,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57 2025-08-31T10:08:18,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57 2025-08-31T10:08:18,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41 2025-08-31T10:08:18,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41 2025-08-31T10:08:18,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1 2025-08-31T10:08:18,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1 2025-08-31T10:08:18,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31 2025-08-31T10:08:18,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31 2025-08-31T10:08:18,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38 2025-08-31T10:08:18,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38 2025-08-31T10:08:18,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8 2025-08-31T10:08:18,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8 2025-08-31T10:08:18,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65 2025-08-31T10:08:18,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65 2025-08-31T10:08:18,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12 2025-08-31T10:08:18,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12 2025-08-31T10:08:18,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51 2025-08-31T10:08:18,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51 2025-08-31T10:08:18,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55 2025-08-31T10:08:18,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55 2025-08-31T10:08:18,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17 2025-08-31T10:08:18,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17 2025-08-31T10:08:18,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33 2025-08-31T10:08:18,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33 2025-08-31T10:08:18,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59 2025-08-31T10:08:18,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59 2025-08-31T10:08:18,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37 2025-08-31T10:08:18,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37 2025-08-31T10:08:18,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47 2025-08-31T10:08:18,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47 2025-08-31T10:08:18,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48 2025-08-31T10:08:18,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48 2025-08-31T10:08:18,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53 2025-08-31T10:08:18,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53 2025-08-31T10:08:18,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61 2025-08-31T10:08:18,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61 2025-08-31T10:08:18,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6 2025-08-31T10:08:18,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6 2025-08-31T10:08:18,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39 2025-08-31T10:08:18,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39 2025-08-31T10:08:18,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54 2025-08-31T10:08:18,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54 2025-08-31T10:08:18,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5 2025-08-31T10:08:18,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5 2025-08-31T10:08:18,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60 2025-08-31T10:08:18,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60 2025-08-31T10:08:18,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7 2025-08-31T10:08:18,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7 2025-08-31T10:08:18,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43 2025-08-31T10:08:18,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43 2025-08-31T10:08:18,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26 2025-08-31T10:08:18,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26 2025-08-31T10:08:18,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23 2025-08-31T10:08:18,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23 2025-08-31T10:08:18,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36 2025-08-31T10:08:18,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36 2025-08-31T10:08:18,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58 2025-08-31T10:08:18,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58 2025-08-31T10:08:19,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52 2025-08-31T10:08:19,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52 2025-08-31T10:08:19,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46 2025-08-31T10:08:19,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46 2025-08-31T10:08:19,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30 2025-08-31T10:08:19,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30 2025-08-31T10:08:19,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51 2025-08-31T10:08:19,011 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51 2025-08-31T10:08:19,013 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49 2025-08-31T10:08:19,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49 2025-08-31T10:08:19,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45 2025-08-31T10:08:19,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45 2025-08-31T10:08:19,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48 2025-08-31T10:08:19,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48 2025-08-31T10:08:19,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46 2025-08-31T10:08:19,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46 2025-08-31T10:08:19,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40 2025-08-31T10:08:19,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40 2025-08-31T10:08:19,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60 2025-08-31T10:08:19,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60 2025-08-31T10:08:19,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40 2025-08-31T10:08:19,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40 2025-08-31T10:08:19,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56 2025-08-31T10:08:19,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56 2025-08-31T10:08:19,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22 2025-08-31T10:08:19,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22 2025-08-31T10:08:19,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49 2025-08-31T10:08:19,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49 2025-08-31T10:08:19,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26 2025-08-31T10:08:19,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26 2025-08-31T10:08:19,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51 2025-08-31T10:08:19,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51 2025-08-31T10:08:19,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44 2025-08-31T10:08:19,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44 2025-08-31T10:08:19,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47 2025-08-31T10:08:19,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47 2025-08-31T10:08:19,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20 2025-08-31T10:08:19,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20 2025-08-31T10:08:19,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25 2025-08-31T10:08:19,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25 2025-08-31T10:08:19,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28 2025-08-31T10:08:19,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28 2025-08-31T10:08:19,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48 2025-08-31T10:08:19,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48 2025-08-31T10:08:19,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56 2025-08-31T10:08:19,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56 2025-08-31T10:08:19,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43 2025-08-31T10:08:19,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43 2025-08-31T10:08:19,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45 2025-08-31T10:08:19,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45 2025-08-31T10:08:19,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46 2025-08-31T10:08:19,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46 2025-08-31T10:08:19,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22 2025-08-31T10:08:19,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22 2025-08-31T10:08:19,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52 2025-08-31T10:08:19,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52 2025-08-31T10:08:19,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44 2025-08-31T10:08:19,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44 2025-08-31T10:08:19,098 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20 2025-08-31T10:08:19,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20 2025-08-31T10:08:19,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21 2025-08-31T10:08:19,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21 2025-08-31T10:08:19,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26 2025-08-31T10:08:19,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26 2025-08-31T10:08:19,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25 2025-08-31T10:08:19,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25 2025-08-31T10:08:19,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52 2025-08-31T10:08:19,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52 2025-08-31T10:08:19,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47 2025-08-31T10:08:19,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47 2025-08-31T10:08:19,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57 2025-08-31T10:08:19,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57 2025-08-31T10:08:19,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43 2025-08-31T10:08:19,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43 2025-08-31T10:08:19,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29 2025-08-31T10:08:19,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29 2025-08-31T10:08:19,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60 2025-08-31T10:08:19,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60 2025-08-31T10:08:19,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e 2025-08-31T10:08:19,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e 2025-08-31T10:08:19,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3 2025-08-31T10:08:19,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3 2025-08-31T10:08:19,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2 2025-08-31T10:08:19,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2 2025-08-31T10:08:19,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1 2025-08-31T10:08:19,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1 2025-08-31T10:08:19,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1 2025-08-31T10:08:19,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1 2025-08-31T10:08:19,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e 2025-08-31T10:08:19,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e 2025-08-31T10:08:19,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p 2025-08-31T10:08:19,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p 2025-08-31T10:08:19,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr 2025-08-31T10:08:19,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr 2025-08-31T10:08:19,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e 2025-08-31T10:08:19,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e 2025-08-31T10:08:19,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e 2025-08-31T10:08:19,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e 2025-08-31T10:08:19,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1 2025-08-31T10:08:19,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1 2025-08-31T10:08:19,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2 2025-08-31T10:08:19,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2 2025-08-31T10:08:19,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2 2025-08-31T10:08:19,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2 2025-08-31T10:08:19,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1 2025-08-31T10:08:19,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1 2025-08-31T10:08:19,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4 2025-08-31T10:08:19,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4 2025-08-31T10:08:19,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1 2025-08-31T10:08:19,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1 2025-08-31T10:08:19,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6 2025-08-31T10:08:19,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6 2025-08-31T10:08:19,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2 2025-08-31T10:08:19,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2 2025-08-31T10:08:19,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p 2025-08-31T10:08:19,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p 2025-08-31T10:08:19,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1 2025-08-31T10:08:19,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1 2025-08-31T10:08:19,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3 2025-08-31T10:08:19,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3 2025-08-31T10:08:19,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene 2025-08-31T10:08:19,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene 2025-08-31T10:08:19,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e 2025-08-31T10:08:19,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e 2025-08-31T10:08:19,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me 2025-08-31T10:08:19,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me 2025-08-31T10:08:19,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2 2025-08-31T10:08:19,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2 2025-08-31T10:08:19,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e 2025-08-31T10:08:19,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e 2025-08-31T10:08:19,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1 2025-08-31T10:08:19,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1 2025-08-31T10:08:19,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1 2025-08-31T10:08:19,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1 2025-08-31T10:08:19,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1 2025-08-31T10:08:19,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1 2025-08-31T10:08:19,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3 2025-08-31T10:08:19,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3 2025-08-31T10:08:19,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e 2025-08-31T10:08:19,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e 2025-08-31T10:08:19,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int 2025-08-31T10:08:19,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int 2025-08-31T10:08:19,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e 2025-08-31T10:08:19,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e 2025-08-31T10:08:19,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2 2025-08-31T10:08:19,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2 2025-08-31T10:08:19,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e 2025-08-31T10:08:19,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e 2025-08-31T10:08:19,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3 2025-08-31T10:08:19,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3 2025-08-31T10:08:19,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3 2025-08-31T10:08:19,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3 2025-08-31T10:08:19,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3 2025-08-31T10:08:19,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3 2025-08-31T10:08:19,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5 2025-08-31T10:08:19,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5 2025-08-31T10:08:19,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2 2025-08-31T10:08:19,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2 2025-08-31T10:08:19,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e 2025-08-31T10:08:19,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e 2025-08-31T10:08:19,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl 2025-08-31T10:08:19,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl 2025-08-31T10:08:19,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3 2025-08-31T10:08:19,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3 2025-08-31T10:08:19,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n 2025-08-31T10:08:19,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n 2025-08-31T10:08:19,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2 2025-08-31T10:08:19,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2 2025-08-31T10:08:19,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A 2025-08-31T10:08:19,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A 2025-08-31T10:08:19,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s 2025-08-31T10:08:19,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s 2025-08-31T10:08:19,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5 2025-08-31T10:08:19,300 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5 2025-08-31T10:08:19,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he 2025-08-31T10:08:19,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he 2025-08-31T10:08:19,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68 2025-08-31T10:08:19,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68 2025-08-31T10:08:19,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74 2025-08-31T10:08:19,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74 2025-08-31T10:08:19,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71 2025-08-31T10:08:19,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71 2025-08-31T10:08:19,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1 2025-08-31T10:08:19,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1 2025-08-31T10:08:19,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans 2025-08-31T10:08:19,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans 2025-08-31T10:08:19,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar 2025-08-31T10:08:19,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar 2025-08-31T10:08:19,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh 2025-08-31T10:08:19,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh 2025-08-31T10:08:19,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80 2025-08-31T10:08:19,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80 2025-08-31T10:08:19,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2 2025-08-31T10:08:19,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2 2025-08-31T10:08:19,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S 2025-08-31T10:08:19,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S 2025-08-31T10:08:19,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts 2025-08-31T10:08:19,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts 2025-08-31T10:08:19,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A 2025-08-31T10:08:19,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A 2025-08-31T10:08:19,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh 2025-08-31T10:08:19,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh 2025-08-31T10:08:19,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc 2025-08-31T10:08:19,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc 2025-08-31T10:08:19,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4 2025-08-31T10:08:19,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4 2025-08-31T10:08:19,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75 2025-08-31T10:08:19,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75 2025-08-31T10:08:19,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1 2025-08-31T10:08:19,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1 2025-08-31T10:08:19,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis 2025-08-31T10:08:19,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis 2025-08-31T10:08:19,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8 2025-08-31T10:08:19,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8 2025-08-31T10:08:19,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76 2025-08-31T10:08:19,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76 2025-08-31T10:08:19,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2 2025-08-31T10:08:19,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2 2025-08-31T10:08:19,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr 2025-08-31T10:08:19,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr 2025-08-31T10:08:19,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2 2025-08-31T10:08:19,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2 2025-08-31T10:08:19,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf 2025-08-31T10:08:19,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf 2025-08-31T10:08:19,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf 2025-08-31T10:08:19,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf 2025-08-31T10:08:19,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al 2025-08-31T10:08:19,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al 2025-08-31T10:08:19,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k 2025-08-31T10:08:19,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k 2025-08-31T10:08:19,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3 2025-08-31T10:08:19,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3 2025-08-31T10:08:19,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c 2025-08-31T10:08:19,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c 2025-08-31T10:08:19,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be 2025-08-31T10:08:19,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be 2025-08-31T10:08:19,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis 2025-08-31T10:08:19,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis 2025-08-31T10:08:19,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p 2025-08-31T10:08:19,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p 2025-08-31T10:08:19,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2 2025-08-31T10:08:19,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2 2025-08-31T10:08:19,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B 2025-08-31T10:08:19,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B 2025-08-31T10:08:19,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+ 2025-08-31T10:08:19,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+ 2025-08-31T10:08:19,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar 2025-08-31T10:08:19,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar 2025-08-31T10:08:19,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH 2025-08-31T10:08:19,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH 2025-08-31T10:08:19,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64 2025-08-31T10:08:19,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64 2025-08-31T10:08:19,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2 2025-08-31T10:08:19,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2 2025-08-31T10:08:19,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34 2025-08-31T10:08:19,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34 2025-08-31T10:08:19,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s 2025-08-31T10:08:19,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s 2025-08-31T10:08:19,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco 2025-08-31T10:08:19,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco 2025-08-31T10:08:19,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr 2025-08-31T10:08:19,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr 2025-08-31T10:08:19,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20 2025-08-31T10:08:19,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20 2025-08-31T10:08:19,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73 2025-08-31T10:08:19,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73 2025-08-31T10:08:19,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2 2025-08-31T10:08:19,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2 2025-08-31T10:08:19,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b 2025-08-31T10:08:19,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b 2025-08-31T10:08:19,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf 2025-08-31T10:08:19,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf 2025-08-31T10:08:19,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+ 2025-08-31T10:08:19,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+ 2025-08-31T10:08:19,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2 2025-08-31T10:08:19,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2 2025-08-31T10:08:19,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2 2025-08-31T10:08:19,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2 2025-08-31T10:08:19,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a 2025-08-31T10:08:19,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a 2025-08-31T10:08:19,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3 2025-08-31T10:08:19,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3 2025-08-31T10:08:19,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3 2025-08-31T10:08:19,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3 2025-08-31T10:08:19,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+ 2025-08-31T10:08:19,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+ 2025-08-31T10:08:19,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f 2025-08-31T10:08:19,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f 2025-08-31T10:08:19,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic 2025-08-31T10:08:19,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic 2025-08-31T10:08:19,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts 2025-08-31T10:08:19,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts 2025-08-31T10:08:19,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18 2025-08-31T10:08:19,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18 2025-08-31T10:08:19,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS 2025-08-31T10:08:19,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS 2025-08-31T10:08:19,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH 2025-08-31T10:08:19,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH 2025-08-31T10:08:19,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59 2025-08-31T10:08:19,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59 2025-08-31T10:08:19,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20 2025-08-31T10:08:19,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20 2025-08-31T10:08:19,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40 2025-08-31T10:08:19,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40 2025-08-31T10:08:19,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2 2025-08-31T10:08:19,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2 2025-08-31T10:08:19,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr 2025-08-31T10:08:19,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr 2025-08-31T10:08:19,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr 2025-08-31T10:08:19,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr 2025-08-31T10:08:19,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47 2025-08-31T10:08:19,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47 2025-08-31T10:08:19,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67 2025-08-31T10:08:19,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67 2025-08-31T10:08:19,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2 2025-08-31T10:08:19,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2 2025-08-31T10:08:19,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o 2025-08-31T10:08:19,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o 2025-08-31T10:08:19,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne 2025-08-31T10:08:19,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne 2025-08-31T10:08:19,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17 2025-08-31T10:08:19,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17 2025-08-31T10:08:19,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13 2025-08-31T10:08:19,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13 2025-08-31T10:08:19,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4 2025-08-31T10:08:19,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4 2025-08-31T10:08:19,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH 2025-08-31T10:08:19,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH 2025-08-31T10:08:19,554 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12 2025-08-31T10:08:19,555 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12 2025-08-31T10:08:19,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58 2025-08-31T10:08:19,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58 2025-08-31T10:08:19,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1 2025-08-31T10:08:19,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1 2025-08-31T10:08:19,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3 2025-08-31T10:08:19,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3 2025-08-31T10:08:19,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts 2025-08-31T10:08:19,568 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts 2025-08-31T10:08:19,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25 2025-08-31T10:08:19,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25 2025-08-31T10:08:19,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+ 2025-08-31T10:08:19,574 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+ 2025-08-31T10:08:19,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4 2025-08-31T10:08:19,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4 2025-08-31T10:08:19,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4 2025-08-31T10:08:19,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4 2025-08-31T10:08:19,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs 2025-08-31T10:08:19,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs 2025-08-31T10:08:19,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn 2025-08-31T10:08:19,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn 2025-08-31T10:08:19,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B 2025-08-31T10:08:19,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B 2025-08-31T10:08:19,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25 2025-08-31T10:08:19,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25 2025-08-31T10:08:19,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6 2025-08-31T10:08:19,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6 2025-08-31T10:08:19,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25 2025-08-31T10:08:19,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25 2025-08-31T10:08:19,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4 2025-08-31T10:08:19,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4 2025-08-31T10:08:19,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B 2025-08-31T10:08:19,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B 2025-08-31T10:08:19,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe 2025-08-31T10:08:19,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe 2025-08-31T10:08:19,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao 2025-08-31T10:08:19,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao 2025-08-31T10:08:19,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp 2025-08-31T10:08:19,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp 2025-08-31T10:08:19,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1 2025-08-31T10:08:19,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1 2025-08-31T10:08:19,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20 2025-08-31T10:08:19,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20 2025-08-31T10:08:19,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p 2025-08-31T10:08:19,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p 2025-08-31T10:08:19,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg 2025-08-31T10:08:19,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg 2025-08-31T10:08:19,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14 2025-08-31T10:08:19,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14 2025-08-31T10:08:19,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2 2025-08-31T10:08:19,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2 2025-08-31T10:08:19,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24 2025-08-31T10:08:19,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24 2025-08-31T10:08:19,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n 2025-08-31T10:08:19,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n 2025-08-31T10:08:19,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s 2025-08-31T10:08:19,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s 2025-08-31T10:08:19,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl 2025-08-31T10:08:19,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl 2025-08-31T10:08:19,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45 2025-08-31T10:08:19,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45 2025-08-31T10:08:19,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl 2025-08-31T10:08:19,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl 2025-08-31T10:08:19,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78 2025-08-31T10:08:19,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78 2025-08-31T10:08:19,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b 2025-08-31T10:08:19,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b 2025-08-31T10:08:19,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B 2025-08-31T10:08:19,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B 2025-08-31T10:08:19,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl 2025-08-31T10:08:19,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl 2025-08-31T10:08:19,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10 2025-08-31T10:08:19,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10 2025-08-31T10:08:19,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n 2025-08-31T10:08:19,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n 2025-08-31T10:08:19,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2 2025-08-31T10:08:19,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2 2025-08-31T10:08:19,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20 2025-08-31T10:08:19,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20 2025-08-31T10:08:19,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5 2025-08-31T10:08:19,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5 2025-08-31T10:08:19,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43 2025-08-31T10:08:19,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43 2025-08-31T10:08:19,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h 2025-08-31T10:08:19,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h 2025-08-31T10:08:19,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3 2025-08-31T10:08:19,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3 2025-08-31T10:08:19,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A 2025-08-31T10:08:19,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A 2025-08-31T10:08:19,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s- 2025-08-31T10:08:19,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s- 2025-08-31T10:08:19,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca 2025-08-31T10:08:19,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca 2025-08-31T10:08:19,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02 2025-08-31T10:08:19,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02 2025-08-31T10:08:19,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+ 2025-08-31T10:08:19,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+ 2025-08-31T10:08:19,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl 2025-08-31T10:08:19,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl 2025-08-31T10:08:19,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A 2025-08-31T10:08:19,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A 2025-08-31T10:08:19,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si 2025-08-31T10:08:19,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si 2025-08-31T10:08:19,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A 2025-08-31T10:08:19,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A 2025-08-31T10:08:19,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A 2025-08-31T10:08:19,728 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A 2025-08-31T10:08:19,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots 2025-08-31T10:08:19,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots 2025-08-31T10:08:19,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n 2025-08-31T10:08:19,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n 2025-08-31T10:08:19,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A 2025-08-31T10:08:19,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A 2025-08-31T10:08:19,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n 2025-08-31T10:08:19,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n 2025-08-31T10:08:19,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi 2025-08-31T10:08:19,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi 2025-08-31T10:08:19,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O 2025-08-31T10:08:19,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O 2025-08-31T10:08:19,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2 2025-08-31T10:08:19,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2 2025-08-31T10:08:19,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne 2025-08-31T10:08:19,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne 2025-08-31T10:08:19,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn 2025-08-31T10:08:19,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn 2025-08-31T10:08:19,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2 2025-08-31T10:08:19,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2 2025-08-31T10:08:19,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B 2025-08-31T10:08:19,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B 2025-08-31T10:08:19,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B 2025-08-31T10:08:19,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B 2025-08-31T10:08:19,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p 2025-08-31T10:08:19,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p 2025-08-31T10:08:19,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39 2025-08-31T10:08:19,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39 2025-08-31T10:08:19,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f 2025-08-31T10:08:19,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f 2025-08-31T10:08:19,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo 2025-08-31T10:08:19,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo 2025-08-31T10:08:19,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm 2025-08-31T10:08:19,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm 2025-08-31T10:08:19,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS 2025-08-31T10:08:19,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS 2025-08-31T10:08:19,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo 2025-08-31T10:08:19,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo 2025-08-31T10:08:19,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s 2025-08-31T10:08:19,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s 2025-08-31T10:08:19,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp 2025-08-31T10:08:19,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp 2025-08-31T10:08:19,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+ 2025-08-31T10:08:19,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+ 2025-08-31T10:08:19,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48 2025-08-31T10:08:19,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48 2025-08-31T10:08:19,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh 2025-08-31T10:08:19,812 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh 2025-08-31T10:08:19,817 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl 2025-08-31T10:08:19,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl 2025-08-31T10:08:19,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl 2025-08-31T10:08:19,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl 2025-08-31T10:08:19,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O 2025-08-31T10:08:19,831 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O 2025-08-31T10:08:19,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A 2025-08-31T10:08:19,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A 2025-08-31T10:08:19,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21 2025-08-31T10:08:19,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21 2025-08-31T10:08:19,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B 2025-08-31T10:08:19,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B 2025-08-31T10:08:19,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2 2025-08-31T10:08:19,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2 2025-08-31T10:08:19,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+ 2025-08-31T10:08:19,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+ 2025-08-31T10:08:19,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43 2025-08-31T10:08:19,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43 2025-08-31T10:08:19,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0 2025-08-31T10:08:19,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0 2025-08-31T10:08:19,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3 2025-08-31T10:08:19,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3 2025-08-31T10:08:19,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42 2025-08-31T10:08:19,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42 2025-08-31T10:08:19,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2 2025-08-31T10:08:19,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2 2025-08-31T10:08:19,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72 2025-08-31T10:08:19,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72 2025-08-31T10:08:19,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4 2025-08-31T10:08:19,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4 2025-08-31T10:08:19,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72 2025-08-31T10:08:19,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72 2025-08-31T10:08:19,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1 2025-08-31T10:08:19,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1 2025-08-31T10:08:19,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71 2025-08-31T10:08:19,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71 2025-08-31T10:08:19,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41 2025-08-31T10:08:19,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41 2025-08-31T10:08:19,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2 2025-08-31T10:08:19,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2 2025-08-31T10:08:19,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1 2025-08-31T10:08:19,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1 2025-08-31T10:08:19,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3 2025-08-31T10:08:19,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3 2025-08-31T10:08:19,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2 2025-08-31T10:08:19,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2 2025-08-31T10:08:19,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3 2025-08-31T10:08:19,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3 2025-08-31T10:08:19,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42 2025-08-31T10:08:19,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42 2025-08-31T10:08:19,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0 2025-08-31T10:08:19,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0 2025-08-31T10:08:19,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41 2025-08-31T10:08:19,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41 2025-08-31T10:08:19,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2 2025-08-31T10:08:19,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2 2025-08-31T10:08:19,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42 2025-08-31T10:08:19,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42 2025-08-31T10:08:19,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0 2025-08-31T10:08:19,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0 2025-08-31T10:08:19,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3 2025-08-31T10:08:19,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3 2025-08-31T10:08:19,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1 2025-08-31T10:08:19,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1 2025-08-31T10:08:19,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71 2025-08-31T10:08:19,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71 2025-08-31T10:08:19,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2 2025-08-31T10:08:19,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2 2025-08-31T10:08:19,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1 2025-08-31T10:08:19,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1 2025-08-31T10:08:19,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0 2025-08-31T10:08:19,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0 2025-08-31T10:08:19,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41 2025-08-31T10:08:19,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41 2025-08-31T10:08:19,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0 2025-08-31T10:08:19,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0 2025-08-31T10:08:19,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2 2025-08-31T10:08:19,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2 2025-08-31T10:08:19,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22 2025-08-31T10:08:19,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22 2025-08-31T10:08:19,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f 2025-08-31T10:08:19,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f 2025-08-31T10:08:19,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1 2025-08-31T10:08:19,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1 2025-08-31T10:08:19,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2 2025-08-31T10:08:19,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2 2025-08-31T10:08:19,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2 2025-08-31T10:08:19,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2 2025-08-31T10:08:19,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f 2025-08-31T10:08:19,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f 2025-08-31T10:08:19,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l 2025-08-31T10:08:19,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l 2025-08-31T10:08:19,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant 2025-08-31T10:08:19,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant 2025-08-31T10:08:19,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene 2025-08-31T10:08:19,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene 2025-08-31T10:08:19,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer 2025-08-31T10:08:19,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer 2025-08-31T10:08:19,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l 2025-08-31T10:08:19,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l 2025-08-31T10:08:20,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1 2025-08-31T10:08:20,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1 2025-08-31T10:08:20,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2 2025-08-31T10:08:20,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2 2025-08-31T10:08:20,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole 2025-08-31T10:08:20,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole 2025-08-31T10:08:20,013 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS 2025-08-31T10:08:20,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS 2025-08-31T10:08:20,016 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S 2025-08-31T10:08:20,017 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S 2025-08-31T10:08:20,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2025-08-31T10:08:20,021 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2025-08-31T10:08:20,023 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene 2025-08-31T10:08:20,024 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene 2025-08-31T10:08:20,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS 2025-08-31T10:08:20,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS 2025-08-31T10:08:20,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS 2025-08-31T10:08:20,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS 2025-08-31T10:08:20,033 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene 2025-08-31T10:08:20,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene 2025-08-31T10:08:20,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2 2025-08-31T10:08:20,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2 2025-08-31T10:08:20,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene 2025-08-31T10:08:20,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene 2025-08-31T10:08:20,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene 2025-08-31T10:08:20,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene 2025-08-31T10:08:20,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS 2025-08-31T10:08:20,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS 2025-08-31T10:08:20,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine 2025-08-31T10:08:20,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine 2025-08-31T10:08:20,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS 2025-08-31T10:08:20,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS 2025-08-31T10:08:20,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS 2025-08-31T10:08:20,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS 2025-08-31T10:08:20,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS 2025-08-31T10:08:20,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS 2025-08-31T10:08:20,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS 2025-08-31T10:08:20,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS 2025-08-31T10:08:20,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS 2025-08-31T10:08:20,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS 2025-08-31T10:08:20,073 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS 2025-08-31T10:08:20,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS 2025-08-31T10:08:20,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS 2025-08-31T10:08:20,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS 2025-08-31T10:08:20,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS 2025-08-31T10:08:20,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS 2025-08-31T10:08:20,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene 2025-08-31T10:08:20,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene 2025-08-31T10:08:20,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether 2025-08-31T10:08:20,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether 2025-08-31T10:08:20,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene 2025-08-31T10:08:20,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene 2025-08-31T10:08:20,098 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph 2025-08-31T10:08:20,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph 2025-08-31T10:08:20,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS 2025-08-31T10:08:20,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS 2025-08-31T10:08:20,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3 2025-08-31T10:08:20,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3 2025-08-31T10:08:20,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene 2025-08-31T10:08:20,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene 2025-08-31T10:08:20,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS 2025-08-31T10:08:20,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS 2025-08-31T10:08:20,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3 2025-08-31T10:08:20,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3 2025-08-31T10:08:20,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene 2025-08-31T10:08:20,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene 2025-08-31T10:08:20,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS 2025-08-31T10:08:20,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS 2025-08-31T10:08:20,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS 2025-08-31T10:08:20,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS 2025-08-31T10:08:20,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene 2025-08-31T10:08:20,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene 2025-08-31T10:08:20,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene 2025-08-31T10:08:20,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene 2025-08-31T10:08:20,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS 2025-08-31T10:08:20,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS 2025-08-31T10:08:20,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether 2025-08-31T10:08:20,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether 2025-08-31T10:08:20,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3 2025-08-31T10:08:20,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3 2025-08-31T10:08:20,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS 2025-08-31T10:08:20,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS 2025-08-31T10:08:20,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3 2025-08-31T10:08:20,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3 2025-08-31T10:08:20,162 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS 2025-08-31T10:08:20,163 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS 2025-08-31T10:08:20,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3 2025-08-31T10:08:20,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3 2025-08-31T10:08:20,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene 2025-08-31T10:08:20,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene 2025-08-31T10:08:20,174 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS 2025-08-31T10:08:20,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS 2025-08-31T10:08:20,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS 2025-08-31T10:08:20,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS 2025-08-31T10:08:20,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O 2025-08-31T10:08:20,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O 2025-08-31T10:08:20,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS 2025-08-31T10:08:20,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS 2025-08-31T10:08:20,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS 2025-08-31T10:08:20,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS 2025-08-31T10:08:20,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+ 2025-08-31T10:08:20,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+ 2025-08-31T10:08:20,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt 2025-08-31T10:08:20,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt 2025-08-31T10:08:20,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G 2025-08-31T10:08:20,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G 2025-08-31T10:08:20,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT 2025-08-31T10:08:20,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT 2025-08-31T10:08:20,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g- 2025-08-31T10:08:20,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g- 2025-08-31T10:08:20,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX 2025-08-31T10:08:20,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX 2025-08-31T10:08:20,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg 2025-08-31T10:08:20,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg 2025-08-31T10:08:20,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG 2025-08-31T10:08:20,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG 2025-08-31T10:08:20,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+ 2025-08-31T10:08:20,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+ 2025-08-31T10:08:20,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt 2025-08-31T10:08:20,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt 2025-08-31T10:08:20,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt 2025-08-31T10:08:20,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt 2025-08-31T10:08:20,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T 2025-08-31T10:08:20,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T 2025-08-31T10:08:20,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG 2025-08-31T10:08:20,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG 2025-08-31T10:08:20,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g- 2025-08-31T10:08:20,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g- 2025-08-31T10:08:20,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg 2025-08-31T10:08:20,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg 2025-08-31T10:08:20,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x- 2025-08-31T10:08:20,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x- 2025-08-31T10:08:20,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg 2025-08-31T10:08:20,263 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg 2025-08-31T10:08:20,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g- 2025-08-31T10:08:20,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g- 2025-08-31T10:08:20,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23 2025-08-31T10:08:20,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23 2025-08-31T10:08:20,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4 2025-08-31T10:08:20,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4 2025-08-31T10:08:20,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8 2025-08-31T10:08:20,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8 2025-08-31T10:08:20,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30 2025-08-31T10:08:20,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30 2025-08-31T10:08:20,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3 2025-08-31T10:08:20,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3 2025-08-31T10:08:20,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29 2025-08-31T10:08:20,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29 2025-08-31T10:08:20,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42 2025-08-31T10:08:20,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42 2025-08-31T10:08:20,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10 2025-08-31T10:08:20,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10 2025-08-31T10:08:20,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34 2025-08-31T10:08:20,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34 2025-08-31T10:08:20,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22 2025-08-31T10:08:20,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22 2025-08-31T10:08:20,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18 2025-08-31T10:08:20,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18 2025-08-31T10:08:20,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16 2025-08-31T10:08:20,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16 2025-08-31T10:08:20,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7 2025-08-31T10:08:20,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7 2025-08-31T10:08:20,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52 2025-08-31T10:08:20,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52 2025-08-31T10:08:20,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37 2025-08-31T10:08:20,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37 2025-08-31T10:08:20,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40 2025-08-31T10:08:20,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40 2025-08-31T10:08:20,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28 2025-08-31T10:08:20,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28 2025-08-31T10:08:20,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36 2025-08-31T10:08:20,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36 2025-08-31T10:08:20,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47 2025-08-31T10:08:20,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47 2025-08-31T10:08:20,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21 2025-08-31T10:08:20,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21 2025-08-31T10:08:20,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13 2025-08-31T10:08:20,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13 2025-08-31T10:08:20,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25 2025-08-31T10:08:20,354 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25 2025-08-31T10:08:20,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32 2025-08-31T10:08:20,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32 2025-08-31T10:08:20,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6 2025-08-31T10:08:20,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6 2025-08-31T10:08:20,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41 2025-08-31T10:08:20,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41 2025-08-31T10:08:20,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14 2025-08-31T10:08:20,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14 2025-08-31T10:08:20,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1 2025-08-31T10:08:20,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1 2025-08-31T10:08:20,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15 2025-08-31T10:08:20,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15 2025-08-31T10:08:20,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38 2025-08-31T10:08:20,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38 2025-08-31T10:08:20,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24 2025-08-31T10:08:20,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24 2025-08-31T10:08:20,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19 2025-08-31T10:08:20,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19 2025-08-31T10:08:20,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31 2025-08-31T10:08:20,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31 2025-08-31T10:08:20,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45 2025-08-31T10:08:20,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45 2025-08-31T10:08:20,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50 2025-08-31T10:08:20,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50 2025-08-31T10:08:20,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26 2025-08-31T10:08:20,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26 2025-08-31T10:08:20,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46 2025-08-31T10:08:20,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46 2025-08-31T10:08:20,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2 2025-08-31T10:08:20,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2 2025-08-31T10:08:20,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20 2025-08-31T10:08:20,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20 2025-08-31T10:08:20,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5 2025-08-31T10:08:20,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5 2025-08-31T10:08:20,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43 2025-08-31T10:08:20,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43 2025-08-31T10:08:20,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44 2025-08-31T10:08:20,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44 2025-08-31T10:08:20,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33 2025-08-31T10:08:20,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33 2025-08-31T10:08:20,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12 2025-08-31T10:08:20,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12 2025-08-31T10:08:20,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17 2025-08-31T10:08:20,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17 2025-08-31T10:08:20,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35 2025-08-31T10:08:20,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35 2025-08-31T10:08:20,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51 2025-08-31T10:08:20,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51 2025-08-31T10:08:20,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9 2025-08-31T10:08:20,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9 2025-08-31T10:08:20,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39 2025-08-31T10:08:20,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39 2025-08-31T10:08:20,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49 2025-08-31T10:08:20,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49 2025-08-31T10:08:20,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48 2025-08-31T10:08:20,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48 2025-08-31T10:08:20,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11 2025-08-31T10:08:20,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11 2025-08-31T10:08:20,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27 2025-08-31T10:08:20,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27 2025-08-31T10:08:20,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O 2025-08-31T10:08:20,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O 2025-08-31T10:08:20,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL 2025-08-31T10:08:20,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL 2025-08-31T10:08:20,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A 2025-08-31T10:08:20,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A 2025-08-31T10:08:20,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B 2025-08-31T10:08:20,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B 2025-08-31T10:08:20,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B 2025-08-31T10:08:20,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B 2025-08-31T10:08:20,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A 2025-08-31T10:08:20,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A 2025-08-31T10:08:20,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A 2025-08-31T10:08:20,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A 2025-08-31T10:08:20,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B 2025-08-31T10:08:20,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B 2025-08-31T10:08:20,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL 2025-08-31T10:08:20,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL 2025-08-31T10:08:20,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A 2025-08-31T10:08:20,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A 2025-08-31T10:08:20,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N 2025-08-31T10:08:20,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N 2025-08-31T10:08:20,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL 2025-08-31T10:08:20,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL 2025-08-31T10:08:20,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL 2025-08-31T10:08:20,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL 2025-08-31T10:08:20,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A 2025-08-31T10:08:20,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A 2025-08-31T10:08:20,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A 2025-08-31T10:08:20,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A 2025-08-31T10:08:20,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B 2025-08-31T10:08:20,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B 2025-08-31T10:08:20,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B 2025-08-31T10:08:20,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B 2025-08-31T10:08:20,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A 2025-08-31T10:08:20,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A 2025-08-31T10:08:20,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A 2025-08-31T10:08:20,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A 2025-08-31T10:08:20,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B 2025-08-31T10:08:20,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B 2025-08-31T10:08:20,574 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N 2025-08-31T10:08:20,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N 2025-08-31T10:08:20,577 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A 2025-08-31T10:08:20,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A 2025-08-31T10:08:20,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B 2025-08-31T10:08:20,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B 2025-08-31T10:08:20,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A 2025-08-31T10:08:20,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A 2025-08-31T10:08:20,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B 2025-08-31T10:08:20,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B 2025-08-31T10:08:20,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A 2025-08-31T10:08:20,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A 2025-08-31T10:08:20,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N 2025-08-31T10:08:20,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N 2025-08-31T10:08:20,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B 2025-08-31T10:08:20,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B 2025-08-31T10:08:20,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A 2025-08-31T10:08:20,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A 2025-08-31T10:08:20,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B 2025-08-31T10:08:20,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B 2025-08-31T10:08:20,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N 2025-08-31T10:08:20,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N 2025-08-31T10:08:20,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O 2025-08-31T10:08:20,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O 2025-08-31T10:08:20,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O 2025-08-31T10:08:20,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O 2025-08-31T10:08:20,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B 2025-08-31T10:08:20,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B 2025-08-31T10:08:20,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O 2025-08-31T10:08:20,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O 2025-08-31T10:08:20,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B 2025-08-31T10:08:20,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B 2025-08-31T10:08:20,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A 2025-08-31T10:08:20,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A 2025-08-31T10:08:20,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A 2025-08-31T10:08:20,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A 2025-08-31T10:08:20,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A 2025-08-31T10:08:20,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A 2025-08-31T10:08:20,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4 2025-08-31T10:08:20,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4 2025-08-31T10:08:20,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B 2025-08-31T10:08:20,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B 2025-08-31T10:08:20,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8 2025-08-31T10:08:20,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8 2025-08-31T10:08:20,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A 2025-08-31T10:08:20,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A 2025-08-31T10:08:20,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B 2025-08-31T10:08:20,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B 2025-08-31T10:08:20,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3 2025-08-31T10:08:20,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3 2025-08-31T10:08:20,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B 2025-08-31T10:08:20,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B 2025-08-31T10:08:20,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A 2025-08-31T10:08:20,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A 2025-08-31T10:08:20,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10 2025-08-31T10:08:20,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10 2025-08-31T10:08:20,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A 2025-08-31T10:08:20,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A 2025-08-31T10:08:20,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18 2025-08-31T10:08:20,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18 2025-08-31T10:08:20,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16 2025-08-31T10:08:20,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16 2025-08-31T10:08:20,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7 2025-08-31T10:08:20,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7 2025-08-31T10:08:20,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B 2025-08-31T10:08:20,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B 2025-08-31T10:08:20,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A 2025-08-31T10:08:20,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A 2025-08-31T10:08:20,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B 2025-08-31T10:08:20,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B 2025-08-31T10:08:20,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21 2025-08-31T10:08:20,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21 2025-08-31T10:08:20,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B 2025-08-31T10:08:20,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B 2025-08-31T10:08:20,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13 2025-08-31T10:08:20,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13 2025-08-31T10:08:20,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B 2025-08-31T10:08:20,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B 2025-08-31T10:08:20,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B 2025-08-31T10:08:20,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B 2025-08-31T10:08:20,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6 2025-08-31T10:08:20,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6 2025-08-31T10:08:20,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A 2025-08-31T10:08:20,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A 2025-08-31T10:08:20,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B 2025-08-31T10:08:20,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B 2025-08-31T10:08:20,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14 2025-08-31T10:08:20,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14 2025-08-31T10:08:20,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1 2025-08-31T10:08:20,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1 2025-08-31T10:08:20,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A 2025-08-31T10:08:20,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A 2025-08-31T10:08:20,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15 2025-08-31T10:08:20,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15 2025-08-31T10:08:20,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B 2025-08-31T10:08:20,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B 2025-08-31T10:08:20,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A 2025-08-31T10:08:20,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A 2025-08-31T10:08:20,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19 2025-08-31T10:08:20,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19 2025-08-31T10:08:20,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A 2025-08-31T10:08:20,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A 2025-08-31T10:08:20,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B 2025-08-31T10:08:20,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B 2025-08-31T10:08:20,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B 2025-08-31T10:08:20,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B 2025-08-31T10:08:20,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B 2025-08-31T10:08:20,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B 2025-08-31T10:08:20,794 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2 2025-08-31T10:08:20,795 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2 2025-08-31T10:08:20,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20 2025-08-31T10:08:20,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20 2025-08-31T10:08:20,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B 2025-08-31T10:08:20,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B 2025-08-31T10:08:20,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5 2025-08-31T10:08:20,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5 2025-08-31T10:08:20,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A 2025-08-31T10:08:20,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A 2025-08-31T10:08:20,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A 2025-08-31T10:08:20,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A 2025-08-31T10:08:20,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B 2025-08-31T10:08:20,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B 2025-08-31T10:08:20,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A 2025-08-31T10:08:20,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A 2025-08-31T10:08:20,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B 2025-08-31T10:08:20,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B 2025-08-31T10:08:20,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A 2025-08-31T10:08:20,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A 2025-08-31T10:08:20,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B 2025-08-31T10:08:20,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B 2025-08-31T10:08:20,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A 2025-08-31T10:08:20,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A 2025-08-31T10:08:20,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A 2025-08-31T10:08:20,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A 2025-08-31T10:08:20,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12 2025-08-31T10:08:20,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12 2025-08-31T10:08:20,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17 2025-08-31T10:08:20,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17 2025-08-31T10:08:20,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A 2025-08-31T10:08:20,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A 2025-08-31T10:08:20,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B 2025-08-31T10:08:20,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B 2025-08-31T10:08:20,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9 2025-08-31T10:08:20,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9 2025-08-31T10:08:20,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A 2025-08-31T10:08:20,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A 2025-08-31T10:08:20,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B 2025-08-31T10:08:20,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B 2025-08-31T10:08:20,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A 2025-08-31T10:08:20,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A 2025-08-31T10:08:20,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B 2025-08-31T10:08:20,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B 2025-08-31T10:08:20,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A 2025-08-31T10:08:20,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A 2025-08-31T10:08:20,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B 2025-08-31T10:08:20,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B 2025-08-31T10:08:20,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11 2025-08-31T10:08:20,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11 2025-08-31T10:08:20,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl 2025-08-31T10:08:20,875 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl 2025-08-31T10:08:20,877 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal 2025-08-31T10:08:20,878 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal 2025-08-31T10:08:20,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn 2025-08-31T10:08:20,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn 2025-08-31T10:08:20,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh 2025-08-31T10:08:20,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh 2025-08-31T10:08:20,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2 2025-08-31T10:08:20,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2 2025-08-31T10:08:20,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4 2025-08-31T10:08:20,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4 2025-08-31T10:08:20,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh 2025-08-31T10:08:20,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh 2025-08-31T10:08:20,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2 2025-08-31T10:08:20,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2 2025-08-31T10:08:20,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2 2025-08-31T10:08:20,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2 2025-08-31T10:08:20,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs 2025-08-31T10:08:20,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs 2025-08-31T10:08:20,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4 2025-08-31T10:08:20,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4 2025-08-31T10:08:20,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh 2025-08-31T10:08:20,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh 2025-08-31T10:08:20,914 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc 2025-08-31T10:08:20,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc 2025-08-31T10:08:20,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p 2025-08-31T10:08:20,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p 2025-08-31T10:08:20,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o 2025-08-31T10:08:20,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o 2025-08-31T10:08:20,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn 2025-08-31T10:08:20,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn 2025-08-31T10:08:20,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2 2025-08-31T10:08:20,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2 2025-08-31T10:08:20,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh 2025-08-31T10:08:20,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh 2025-08-31T10:08:20,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2 2025-08-31T10:08:20,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2 2025-08-31T10:08:20,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh 2025-08-31T10:08:20,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh 2025-08-31T10:08:20,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf 2025-08-31T10:08:20,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf 2025-08-31T10:08:20,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c 2025-08-31T10:08:20,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c 2025-08-31T10:08:20,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no 2025-08-31T10:08:20,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no 2025-08-31T10:08:20,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o 2025-08-31T10:08:20,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o 2025-08-31T10:08:20,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al 2025-08-31T10:08:20,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al 2025-08-31T10:08:20,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs 2025-08-31T10:08:20,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs 2025-08-31T10:08:20,963 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3 2025-08-31T10:08:20,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3 2025-08-31T10:08:20,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn 2025-08-31T10:08:20,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn 2025-08-31T10:08:20,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c 2025-08-31T10:08:20,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c 2025-08-31T10:08:20,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc 2025-08-31T10:08:20,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc 2025-08-31T10:08:20,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be 2025-08-31T10:08:20,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be 2025-08-31T10:08:20,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o 2025-08-31T10:08:20,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o 2025-08-31T10:08:20,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf 2025-08-31T10:08:20,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf 2025-08-31T10:08:20,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6 2025-08-31T10:08:20,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6 2025-08-31T10:08:20,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n 2025-08-31T10:08:20,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n 2025-08-31T10:08:20,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono 2025-08-31T10:08:21,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono 2025-08-31T10:08:21,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif 2025-08-31T10:08:21,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif 2025-08-31T10:08:21,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4 2025-08-31T10:08:21,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4 2025-08-31T10:08:21,010 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch 2025-08-31T10:08:21,011 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch 2025-08-31T10:08:21,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde 2025-08-31T10:08:21,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde 2025-08-31T10:08:21,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o 2025-08-31T10:08:21,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o 2025-08-31T10:08:21,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene 2025-08-31T10:08:21,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene 2025-08-31T10:08:21,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2 2025-08-31T10:08:21,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2 2025-08-31T10:08:21,029 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2 2025-08-31T10:08:21,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2 2025-08-31T10:08:21,033 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3 2025-08-31T10:08:21,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3 2025-08-31T10:08:21,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s 2025-08-31T10:08:21,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s 2025-08-31T10:08:21,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco 2025-08-31T10:08:21,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco 2025-08-31T10:08:21,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane 2025-08-31T10:08:21,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane 2025-08-31T10:08:21,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2 2025-08-31T10:08:21,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2 2025-08-31T10:08:21,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf 2025-08-31T10:08:21,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf 2025-08-31T10:08:21,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo 2025-08-31T10:08:21,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo 2025-08-31T10:08:21,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4 2025-08-31T10:08:21,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4 2025-08-31T10:08:21,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2 2025-08-31T10:08:21,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2 2025-08-31T10:08:21,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf 2025-08-31T10:08:21,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf 2025-08-31T10:08:21,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2 2025-08-31T10:08:21,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2 2025-08-31T10:08:21,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof 2025-08-31T10:08:21,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof 2025-08-31T10:08:21,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4 2025-08-31T10:08:21,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4 2025-08-31T10:08:21,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f 2025-08-31T10:08:21,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f 2025-08-31T10:08:21,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3 2025-08-31T10:08:21,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3 2025-08-31T10:08:21,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f 2025-08-31T10:08:21,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f 2025-08-31T10:08:21,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic 2025-08-31T10:08:21,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic 2025-08-31T10:08:21,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo 2025-08-31T10:08:21,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo 2025-08-31T10:08:21,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene 2025-08-31T10:08:21,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene 2025-08-31T10:08:21,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh 2025-08-31T10:08:21,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh 2025-08-31T10:08:21,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2 2025-08-31T10:08:21,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2 2025-08-31T10:08:21,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2 2025-08-31T10:08:21,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2 2025-08-31T10:08:21,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol 2025-08-31T10:08:21,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol 2025-08-31T10:08:21,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn 2025-08-31T10:08:21,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn 2025-08-31T10:08:21,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2 2025-08-31T10:08:21,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2 2025-08-31T10:08:21,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof 2025-08-31T10:08:21,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof 2025-08-31T10:08:21,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2 2025-08-31T10:08:21,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2 2025-08-31T10:08:21,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o 2025-08-31T10:08:21,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o 2025-08-31T10:08:21,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f 2025-08-31T10:08:21,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f 2025-08-31T10:08:21,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4 2025-08-31T10:08:21,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4 2025-08-31T10:08:21,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3 2025-08-31T10:08:21,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3 2025-08-31T10:08:21,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2 2025-08-31T10:08:21,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2 2025-08-31T10:08:21,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3 2025-08-31T10:08:21,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3 2025-08-31T10:08:21,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4 2025-08-31T10:08:21,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4 2025-08-31T10:08:21,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi 2025-08-31T10:08:21,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi 2025-08-31T10:08:21,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn 2025-08-31T10:08:21,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn 2025-08-31T10:08:21,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3 2025-08-31T10:08:21,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3 2025-08-31T10:08:21,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn 2025-08-31T10:08:21,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn 2025-08-31T10:08:21,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing 2025-08-31T10:08:21,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing 2025-08-31T10:08:21,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2 2025-08-31T10:08:21,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2 2025-08-31T10:08:21,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3 2025-08-31T10:08:21,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3 2025-08-31T10:08:21,174 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6 2025-08-31T10:08:21,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6 2025-08-31T10:08:21,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane 2025-08-31T10:08:21,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane 2025-08-31T10:08:21,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2 2025-08-31T10:08:21,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2 2025-08-31T10:08:21,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo 2025-08-31T10:08:21,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo 2025-08-31T10:08:21,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip 2025-08-31T10:08:21,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip 2025-08-31T10:08:21,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn 2025-08-31T10:08:21,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn 2025-08-31T10:08:21,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2 2025-08-31T10:08:21,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2 2025-08-31T10:08:21,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so 2025-08-31T10:08:21,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so 2025-08-31T10:08:21,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co 2025-08-31T10:08:21,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co 2025-08-31T10:08:21,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2 2025-08-31T10:08:21,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2 2025-08-31T10:08:21,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2 2025-08-31T10:08:21,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2 2025-08-31T10:08:21,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s 2025-08-31T10:08:21,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s 2025-08-31T10:08:21,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno 2025-08-31T10:08:21,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno 2025-08-31T10:08:21,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch 2025-08-31T10:08:21,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch 2025-08-31T10:08:21,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol 2025-08-31T10:08:21,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol 2025-08-31T10:08:21,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of 2025-08-31T10:08:21,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of 2025-08-31T10:08:21,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2 2025-08-31T10:08:21,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2 2025-08-31T10:08:21,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl 2025-08-31T10:08:21,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl 2025-08-31T10:08:21,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b 2025-08-31T10:08:21,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b 2025-08-31T10:08:21,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene 2025-08-31T10:08:21,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene 2025-08-31T10:08:21,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh 2025-08-31T10:08:21,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh 2025-08-31T10:08:21,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo 2025-08-31T10:08:21,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo 2025-08-31T10:08:21,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl 2025-08-31T10:08:21,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl 2025-08-31T10:08:21,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno 2025-08-31T10:08:21,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno 2025-08-31T10:08:21,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h 2025-08-31T10:08:21,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h 2025-08-31T10:08:21,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco 2025-08-31T10:08:21,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco 2025-08-31T10:08:21,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch 2025-08-31T10:08:21,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch 2025-08-31T10:08:21,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic 2025-08-31T10:08:21,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic 2025-08-31T10:08:21,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf 2025-08-31T10:08:21,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf 2025-08-31T10:08:21,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2 2025-08-31T10:08:21,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2 2025-08-31T10:08:21,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh 2025-08-31T10:08:21,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh 2025-08-31T10:08:21,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof 2025-08-31T10:08:21,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof 2025-08-31T10:08:21,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f 2025-08-31T10:08:21,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f 2025-08-31T10:08:21,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf 2025-08-31T10:08:21,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf 2025-08-31T10:08:21,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o 2025-08-31T10:08:21,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o 2025-08-31T10:08:21,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si 2025-08-31T10:08:21,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si 2025-08-31T10:08:21,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co 2025-08-31T10:08:21,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co 2025-08-31T10:08:21,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs 2025-08-31T10:08:21,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs 2025-08-31T10:08:21,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf 2025-08-31T10:08:21,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf 2025-08-31T10:08:21,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2 2025-08-31T10:08:21,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2 2025-08-31T10:08:21,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio 2025-08-31T10:08:21,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio 2025-08-31T10:08:21,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3 2025-08-31T10:08:21,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3 2025-08-31T10:08:21,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2 2025-08-31T10:08:21,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2 2025-08-31T10:08:21,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl 2025-08-31T10:08:21,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl 2025-08-31T10:08:21,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h 2025-08-31T10:08:21,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h 2025-08-31T10:08:21,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6 2025-08-31T10:08:21,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6 2025-08-31T10:08:21,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn 2025-08-31T10:08:21,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn 2025-08-31T10:08:21,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih 2025-08-31T10:08:21,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih 2025-08-31T10:08:21,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3 2025-08-31T10:08:21,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3 2025-08-31T10:08:21,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh 2025-08-31T10:08:21,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh 2025-08-31T10:08:21,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene 2025-08-31T10:08:21,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene 2025-08-31T10:08:21,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3 2025-08-31T10:08:21,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3 2025-08-31T10:08:21,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co 2025-08-31T10:08:21,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co 2025-08-31T10:08:21,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f 2025-08-31T10:08:21,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f 2025-08-31T10:08:21,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane 2025-08-31T10:08:21,354 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane 2025-08-31T10:08:21,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo 2025-08-31T10:08:21,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo 2025-08-31T10:08:21,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3 2025-08-31T10:08:21,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3 2025-08-31T10:08:21,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh 2025-08-31T10:08:21,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh 2025-08-31T10:08:21,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne 2025-08-31T10:08:21,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne 2025-08-31T10:08:21,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo 2025-08-31T10:08:21,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo 2025-08-31T10:08:21,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2 2025-08-31T10:08:21,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2 2025-08-31T10:08:21,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2 2025-08-31T10:08:21,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2 2025-08-31T10:08:21,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v 2025-08-31T10:08:21,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v 2025-08-31T10:08:21,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh 2025-08-31T10:08:21,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh 2025-08-31T10:08:21,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl 2025-08-31T10:08:21,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl 2025-08-31T10:08:21,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono 2025-08-31T10:08:21,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono 2025-08-31T10:08:21,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2 2025-08-31T10:08:21,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2 2025-08-31T10:08:21,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B 2025-08-31T10:08:21,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B 2025-08-31T10:08:21,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227 2025-08-31T10:08:21,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227 2025-08-31T10:08:21,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147 2025-08-31T10:08:21,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147 2025-08-31T10:08:21,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B 2025-08-31T10:08:21,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B 2025-08-31T10:08:21,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A 2025-08-31T10:08:21,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A 2025-08-31T10:08:21,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150 2025-08-31T10:08:21,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150 2025-08-31T10:08:21,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B 2025-08-31T10:08:21,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B 2025-08-31T10:08:21,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A 2025-08-31T10:08:21,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A 2025-08-31T10:08:21,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B 2025-08-31T10:08:21,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B 2025-08-31T10:08:21,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A 2025-08-31T10:08:21,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A 2025-08-31T10:08:21,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A 2025-08-31T10:08:21,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A 2025-08-31T10:08:21,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B 2025-08-31T10:08:21,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B 2025-08-31T10:08:21,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A 2025-08-31T10:08:21,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A 2025-08-31T10:08:21,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B 2025-08-31T10:08:21,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B 2025-08-31T10:08:21,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187 2025-08-31T10:08:21,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187 2025-08-31T10:08:21,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229 2025-08-31T10:08:21,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229 2025-08-31T10:08:21,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A 2025-08-31T10:08:21,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A 2025-08-31T10:08:21,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B 2025-08-31T10:08:21,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B 2025-08-31T10:08:21,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152 2025-08-31T10:08:21,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152 2025-08-31T10:08:21,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148 2025-08-31T10:08:21,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148 2025-08-31T10:08:21,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A 2025-08-31T10:08:21,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A 2025-08-31T10:08:21,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B 2025-08-31T10:08:21,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B 2025-08-31T10:08:21,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212 2025-08-31T10:08:21,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212 2025-08-31T10:08:21,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B 2025-08-31T10:08:21,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B 2025-08-31T10:08:21,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B 2025-08-31T10:08:21,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B 2025-08-31T10:08:21,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A 2025-08-31T10:08:21,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A 2025-08-31T10:08:21,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228 2025-08-31T10:08:21,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228 2025-08-31T10:08:21,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144 2025-08-31T10:08:21,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144 2025-08-31T10:08:21,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A 2025-08-31T10:08:21,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A 2025-08-31T10:08:21,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B 2025-08-31T10:08:21,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B 2025-08-31T10:08:21,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A 2025-08-31T10:08:21,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A 2025-08-31T10:08:21,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231 2025-08-31T10:08:21,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231 2025-08-31T10:08:21,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A 2025-08-31T10:08:21,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A 2025-08-31T10:08:21,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A 2025-08-31T10:08:21,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A 2025-08-31T10:08:21,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008 2025-08-31T10:08:21,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008 2025-08-31T10:08:21,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B 2025-08-31T10:08:21,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B 2025-08-31T10:08:21,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B 2025-08-31T10:08:21,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B 2025-08-31T10:08:21,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A 2025-08-31T10:08:21,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A 2025-08-31T10:08:21,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230 2025-08-31T10:08:21,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230 2025-08-31T10:08:21,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A 2025-08-31T10:08:21,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A 2025-08-31T10:08:21,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A 2025-08-31T10:08:21,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A 2025-08-31T10:08:21,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A 2025-08-31T10:08:21,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A 2025-08-31T10:08:21,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B 2025-08-31T10:08:21,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B 2025-08-31T10:08:21,554 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B 2025-08-31T10:08:21,555 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B 2025-08-31T10:08:21,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202 2025-08-31T10:08:21,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202 2025-08-31T10:08:21,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213 2025-08-31T10:08:21,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213 2025-08-31T10:08:21,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214 2025-08-31T10:08:21,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214 2025-08-31T10:08:21,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B 2025-08-31T10:08:21,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B 2025-08-31T10:08:21,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3 2025-08-31T10:08:21,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3 2025-08-31T10:08:21,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22 2025-08-31T10:08:21,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22 2025-08-31T10:08:21,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3 2025-08-31T10:08:21,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3 2025-08-31T10:08:21,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22 2025-08-31T10:08:21,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22 2025-08-31T10:08:21,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3 2025-08-31T10:08:21,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3 2025-08-31T10:08:21,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2 2025-08-31T10:08:21,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2 2025-08-31T10:08:21,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2 2025-08-31T10:08:21,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2 2025-08-31T10:08:21,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2 2025-08-31T10:08:21,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2 2025-08-31T10:08:21,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2 2025-08-31T10:08:21,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2 2025-08-31T10:08:21,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22 2025-08-31T10:08:21,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22 2025-08-31T10:08:21,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2 2025-08-31T10:08:21,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2 2025-08-31T10:08:21,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s 2025-08-31T10:08:21,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s 2025-08-31T10:08:21,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22 2025-08-31T10:08:21,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22 2025-08-31T10:08:21,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s 2025-08-31T10:08:21,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s 2025-08-31T10:08:21,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2 2025-08-31T10:08:21,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2 2025-08-31T10:08:21,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22 2025-08-31T10:08:21,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22 2025-08-31T10:08:21,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22 2025-08-31T10:08:21,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22 2025-08-31T10:08:21,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3 2025-08-31T10:08:21,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3 2025-08-31T10:08:21,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22 2025-08-31T10:08:21,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22 2025-08-31T10:08:21,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2 2025-08-31T10:08:21,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2 2025-08-31T10:08:21,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2 2025-08-31T10:08:21,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2 2025-08-31T10:08:21,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s 2025-08-31T10:08:21,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s 2025-08-31T10:08:21,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3 2025-08-31T10:08:21,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3 2025-08-31T10:08:21,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22 2025-08-31T10:08:21,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22 2025-08-31T10:08:21,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22 2025-08-31T10:08:21,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22 2025-08-31T10:08:21,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2 2025-08-31T10:08:21,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2 2025-08-31T10:08:21,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3 2025-08-31T10:08:21,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3 2025-08-31T10:08:21,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2 2025-08-31T10:08:21,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2 2025-08-31T10:08:21,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22 2025-08-31T10:08:21,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22 2025-08-31T10:08:21,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3 2025-08-31T10:08:21,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3 2025-08-31T10:08:21,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2 2025-08-31T10:08:21,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2 2025-08-31T10:08:21,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh 2025-08-31T10:08:21,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh 2025-08-31T10:08:21,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2 2025-08-31T10:08:21,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2 2025-08-31T10:08:21,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6 2025-08-31T10:08:21,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6 2025-08-31T10:08:21,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2 2025-08-31T10:08:21,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2 2025-08-31T10:08:21,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4 2025-08-31T10:08:21,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4 2025-08-31T10:08:21,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme 2025-08-31T10:08:21,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme 2025-08-31T10:08:21,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2 2025-08-31T10:08:21,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2 2025-08-31T10:08:21,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2 2025-08-31T10:08:21,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2 2025-08-31T10:08:21,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6 2025-08-31T10:08:21,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6 2025-08-31T10:08:21,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3 2025-08-31T10:08:21,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3 2025-08-31T10:08:21,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br 2025-08-31T10:08:21,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br 2025-08-31T10:08:21,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4 2025-08-31T10:08:21,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4 2025-08-31T10:08:21,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl 2025-08-31T10:08:21,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl 2025-08-31T10:08:21,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4 2025-08-31T10:08:21,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4 2025-08-31T10:08:21,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3 2025-08-31T10:08:21,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3 2025-08-31T10:08:21,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6 2025-08-31T10:08:21,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6 2025-08-31T10:08:21,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2 2025-08-31T10:08:21,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2 2025-08-31T10:08:21,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2 2025-08-31T10:08:21,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2 2025-08-31T10:08:21,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2 2025-08-31T10:08:21,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2 2025-08-31T10:08:21,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh 2025-08-31T10:08:21,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh 2025-08-31T10:08:21,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1 2025-08-31T10:08:21,763 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1 2025-08-31T10:08:21,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14 2025-08-31T10:08:21,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14 2025-08-31T10:08:21,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4 2025-08-31T10:08:21,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4 2025-08-31T10:08:21,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16 2025-08-31T10:08:21,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16 2025-08-31T10:08:21,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11 2025-08-31T10:08:21,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11 2025-08-31T10:08:21,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1 2025-08-31T10:08:21,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1 2025-08-31T10:08:21,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7 2025-08-31T10:08:21,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7 2025-08-31T10:08:21,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9 2025-08-31T10:08:21,792 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9 2025-08-31T10:08:21,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15 2025-08-31T10:08:21,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15 2025-08-31T10:08:21,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9 2025-08-31T10:08:21,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9 2025-08-31T10:08:21,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3 2025-08-31T10:08:21,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3 2025-08-31T10:08:21,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15 2025-08-31T10:08:21,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15 2025-08-31T10:08:21,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13 2025-08-31T10:08:21,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13 2025-08-31T10:08:21,817 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4 2025-08-31T10:08:21,818 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4 2025-08-31T10:08:21,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12 2025-08-31T10:08:21,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12 2025-08-31T10:08:21,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8 2025-08-31T10:08:21,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8 2025-08-31T10:08:21,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6 2025-08-31T10:08:21,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6 2025-08-31T10:08:21,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2 2025-08-31T10:08:21,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2 2025-08-31T10:08:21,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4 2025-08-31T10:08:21,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4 2025-08-31T10:08:21,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1 2025-08-31T10:08:21,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1 2025-08-31T10:08:21,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14 2025-08-31T10:08:21,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14 2025-08-31T10:08:21,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10 2025-08-31T10:08:21,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10 2025-08-31T10:08:21,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3 2025-08-31T10:08:21,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3 2025-08-31T10:08:21,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3 2025-08-31T10:08:21,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3 2025-08-31T10:08:21,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13 2025-08-31T10:08:21,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13 2025-08-31T10:08:21,874 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4 2025-08-31T10:08:21,875 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4 2025-08-31T10:08:21,877 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7 2025-08-31T10:08:21,878 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7 2025-08-31T10:08:21,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5 2025-08-31T10:08:21,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5 2025-08-31T10:08:21,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5 2025-08-31T10:08:21,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5 2025-08-31T10:08:21,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11 2025-08-31T10:08:21,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11 2025-08-31T10:08:21,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8 2025-08-31T10:08:21,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8 2025-08-31T10:08:21,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6 2025-08-31T10:08:21,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6 2025-08-31T10:08:21,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10 2025-08-31T10:08:21,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10 2025-08-31T10:08:21,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2 2025-08-31T10:08:21,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2 2025-08-31T10:08:21,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5 2025-08-31T10:08:21,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5 2025-08-31T10:08:21,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12 2025-08-31T10:08:21,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12 2025-08-31T10:08:21,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6 2025-08-31T10:08:21,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6 2025-08-31T10:08:21,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2 2025-08-31T10:08:21,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2 2025-08-31T10:08:21,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8 2025-08-31T10:08:21,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8 2025-08-31T10:08:21,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h 2025-08-31T10:08:21,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h 2025-08-31T10:08:21,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4 2025-08-31T10:08:21,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4 2025-08-31T10:08:21,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+ 2025-08-31T10:08:21,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+ 2025-08-31T10:08:21,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4 2025-08-31T10:08:21,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4 2025-08-31T10:08:21,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2 2025-08-31T10:08:21,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2 2025-08-31T10:08:21,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me 2025-08-31T10:08:21,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me 2025-08-31T10:08:21,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2 2025-08-31T10:08:21,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2 2025-08-31T10:08:21,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+ 2025-08-31T10:08:21,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+ 2025-08-31T10:08:21,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2 2025-08-31T10:08:21,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2 2025-08-31T10:08:21,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c 2025-08-31T10:08:21,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c 2025-08-31T10:08:21,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2 2025-08-31T10:08:21,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2 2025-08-31T10:08:21,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch 2025-08-31T10:08:21,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch 2025-08-31T10:08:21,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n 2025-08-31T10:08:21,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n 2025-08-31T10:08:21,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2 2025-08-31T10:08:21,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2 2025-08-31T10:08:21,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me 2025-08-31T10:08:21,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me 2025-08-31T10:08:21,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8 2025-08-31T10:08:21,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8 2025-08-31T10:08:21,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o 2025-08-31T10:08:21,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o 2025-08-31T10:08:21,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4 2025-08-31T10:08:21,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4 2025-08-31T10:08:21,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1 2025-08-31T10:08:21,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1 2025-08-31T10:08:21,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o 2025-08-31T10:08:21,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o 2025-08-31T10:08:21,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4 2025-08-31T10:08:21,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4 2025-08-31T10:08:21,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o 2025-08-31T10:08:21,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o 2025-08-31T10:08:21,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3 2025-08-31T10:08:21,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3 2025-08-31T10:08:21,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o 2025-08-31T10:08:21,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o 2025-08-31T10:08:22,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o 2025-08-31T10:08:22,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o 2025-08-31T10:08:22,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8 2025-08-31T10:08:22,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8 2025-08-31T10:08:22,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1 2025-08-31T10:08:22,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1 2025-08-31T10:08:22,010 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9 2025-08-31T10:08:22,011 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9 2025-08-31T10:08:22,013 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o 2025-08-31T10:08:22,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o 2025-08-31T10:08:22,016 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5 2025-08-31T10:08:22,017 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5 2025-08-31T10:08:22,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2 2025-08-31T10:08:22,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2 2025-08-31T10:08:22,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7 2025-08-31T10:08:22,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7 2025-08-31T10:08:22,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6 2025-08-31T10:08:22,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6 2025-08-31T10:08:22,029 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o 2025-08-31T10:08:22,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o 2025-08-31T10:08:22,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o 2025-08-31T10:08:22,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o 2025-08-31T10:08:22,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3 2025-08-31T10:08:22,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3 2025-08-31T10:08:22,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o 2025-08-31T10:08:22,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o 2025-08-31T10:08:22,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6 2025-08-31T10:08:22,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6 2025-08-31T10:08:22,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o 2025-08-31T10:08:22,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o 2025-08-31T10:08:22,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2 2025-08-31T10:08:22,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2 2025-08-31T10:08:22,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8 2025-08-31T10:08:22,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8 2025-08-31T10:08:22,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9 2025-08-31T10:08:22,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9 2025-08-31T10:08:22,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5 2025-08-31T10:08:22,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5 2025-08-31T10:08:22,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7 2025-08-31T10:08:22,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7 2025-08-31T10:08:22,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02 2025-08-31T10:08:22,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02 2025-08-31T10:08:22,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23 2025-08-31T10:08:22,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23 2025-08-31T10:08:22,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08 2025-08-31T10:08:22,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08 2025-08-31T10:08:22,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2 2025-08-31T10:08:22,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2 2025-08-31T10:08:22,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30 2025-08-31T10:08:22,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30 2025-08-31T10:08:22,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2 2025-08-31T10:08:22,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2 2025-08-31T10:08:22,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29 2025-08-31T10:08:22,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29 2025-08-31T10:08:22,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06 2025-08-31T10:08:22,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06 2025-08-31T10:08:22,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3 2025-08-31T10:08:22,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3 2025-08-31T10:08:22,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2 2025-08-31T10:08:22,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2 2025-08-31T10:08:22,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42 2025-08-31T10:08:22,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42 2025-08-31T10:08:22,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10 2025-08-31T10:08:22,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10 2025-08-31T10:08:22,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34 2025-08-31T10:08:22,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34 2025-08-31T10:08:22,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2 2025-08-31T10:08:22,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2 2025-08-31T10:08:22,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22 2025-08-31T10:08:22,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22 2025-08-31T10:08:22,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18 2025-08-31T10:08:22,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18 2025-08-31T10:08:22,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16 2025-08-31T10:08:22,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16 2025-08-31T10:08:22,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04 2025-08-31T10:08:22,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04 2025-08-31T10:08:22,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37 2025-08-31T10:08:22,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37 2025-08-31T10:08:22,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40 2025-08-31T10:08:22,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40 2025-08-31T10:08:22,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09 2025-08-31T10:08:22,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09 2025-08-31T10:08:22,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28 2025-08-31T10:08:22,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28 2025-08-31T10:08:22,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36 2025-08-31T10:08:22,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36 2025-08-31T10:08:22,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21 2025-08-31T10:08:22,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21 2025-08-31T10:08:22,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13 2025-08-31T10:08:22,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13 2025-08-31T10:08:22,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4 2025-08-31T10:08:22,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4 2025-08-31T10:08:22,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25 2025-08-31T10:08:22,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25 2025-08-31T10:08:22,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32 2025-08-31T10:08:22,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32 2025-08-31T10:08:22,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41 2025-08-31T10:08:22,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41 2025-08-31T10:08:22,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14 2025-08-31T10:08:22,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14 2025-08-31T10:08:22,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15 2025-08-31T10:08:22,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15 2025-08-31T10:08:22,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2 2025-08-31T10:08:22,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2 2025-08-31T10:08:22,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38 2025-08-31T10:08:22,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38 2025-08-31T10:08:22,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24 2025-08-31T10:08:22,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24 2025-08-31T10:08:22,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19 2025-08-31T10:08:22,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19 2025-08-31T10:08:22,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01 2025-08-31T10:08:22,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01 2025-08-31T10:08:22,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2 2025-08-31T10:08:22,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2 2025-08-31T10:08:22,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31 2025-08-31T10:08:22,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31 2025-08-31T10:08:22,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4 2025-08-31T10:08:22,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4 2025-08-31T10:08:22,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26 2025-08-31T10:08:22,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26 2025-08-31T10:08:22,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03 2025-08-31T10:08:22,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03 2025-08-31T10:08:22,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20 2025-08-31T10:08:22,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20 2025-08-31T10:08:22,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43 2025-08-31T10:08:22,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43 2025-08-31T10:08:22,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH 2025-08-31T10:08:22,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH 2025-08-31T10:08:22,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33 2025-08-31T10:08:22,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33 2025-08-31T10:08:22,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12 2025-08-31T10:08:22,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12 2025-08-31T10:08:22,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17 2025-08-31T10:08:22,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17 2025-08-31T10:08:22,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH 2025-08-31T10:08:22,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH 2025-08-31T10:08:22,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35 2025-08-31T10:08:22,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35 2025-08-31T10:08:22,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2 2025-08-31T10:08:22,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2 2025-08-31T10:08:22,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39 2025-08-31T10:08:22,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39 2025-08-31T10:08:22,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2 2025-08-31T10:08:22,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2 2025-08-31T10:08:22,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05 2025-08-31T10:08:22,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05 2025-08-31T10:08:22,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3 2025-08-31T10:08:22,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3 2025-08-31T10:08:22,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2 2025-08-31T10:08:22,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2 2025-08-31T10:08:22,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07 2025-08-31T10:08:22,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07 2025-08-31T10:08:22,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11 2025-08-31T10:08:22,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11 2025-08-31T10:08:22,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27 2025-08-31T10:08:22,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27 2025-08-31T10:08:22,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3 2025-08-31T10:08:22,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3 2025-08-31T10:08:22,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar 2025-08-31T10:08:22,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar 2025-08-31T10:08:22,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2 2025-08-31T10:08:22,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2 2025-08-31T10:08:22,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr 2025-08-31T10:08:22,263 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr 2025-08-31T10:08:22,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr 2025-08-31T10:08:22,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr 2025-08-31T10:08:22,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2 2025-08-31T10:08:22,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2 2025-08-31T10:08:22,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar 2025-08-31T10:08:22,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar 2025-08-31T10:08:22,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2 2025-08-31T10:08:22,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2 2025-08-31T10:08:22,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf 2025-08-31T10:08:22,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf 2025-08-31T10:08:22,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne 2025-08-31T10:08:22,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne 2025-08-31T10:08:22,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3 2025-08-31T10:08:22,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3 2025-08-31T10:08:22,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr 2025-08-31T10:08:22,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr 2025-08-31T10:08:22,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne 2025-08-31T10:08:22,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne 2025-08-31T10:08:22,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4 2025-08-31T10:08:22,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4 2025-08-31T10:08:22,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz 2025-08-31T10:08:22,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz 2025-08-31T10:08:22,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4 2025-08-31T10:08:22,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4 2025-08-31T10:08:22,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe 2025-08-31T10:08:22,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe 2025-08-31T10:08:22,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2 2025-08-31T10:08:22,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2 2025-08-31T10:08:22,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6 2025-08-31T10:08:22,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6 2025-08-31T10:08:22,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe 2025-08-31T10:08:22,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe 2025-08-31T10:08:22,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3 2025-08-31T10:08:22,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3 2025-08-31T10:08:22,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr 2025-08-31T10:08:22,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr 2025-08-31T10:08:22,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6 2025-08-31T10:08:22,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6 2025-08-31T10:08:22,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne 2025-08-31T10:08:22,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne 2025-08-31T10:08:22,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar 2025-08-31T10:08:22,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar 2025-08-31T10:08:22,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr 2025-08-31T10:08:22,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr 2025-08-31T10:08:22,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4 2025-08-31T10:08:22,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4 2025-08-31T10:08:22,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3 2025-08-31T10:08:22,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3 2025-08-31T10:08:22,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o 2025-08-31T10:08:22,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o 2025-08-31T10:08:22,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3 2025-08-31T10:08:22,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3 2025-08-31T10:08:22,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2 2025-08-31T10:08:22,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2 2025-08-31T10:08:22,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl 2025-08-31T10:08:22,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl 2025-08-31T10:08:22,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o 2025-08-31T10:08:22,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o 2025-08-31T10:08:22,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi 2025-08-31T10:08:22,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi 2025-08-31T10:08:22,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3 2025-08-31T10:08:22,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3 2025-08-31T10:08:22,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3 2025-08-31T10:08:22,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3 2025-08-31T10:08:22,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi 2025-08-31T10:08:22,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi 2025-08-31T10:08:22,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o 2025-08-31T10:08:22,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o 2025-08-31T10:08:22,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr 2025-08-31T10:08:22,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr 2025-08-31T10:08:22,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2 2025-08-31T10:08:22,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2 2025-08-31T10:08:22,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi 2025-08-31T10:08:22,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi 2025-08-31T10:08:22,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s 2025-08-31T10:08:22,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s 2025-08-31T10:08:22,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s 2025-08-31T10:08:22,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s 2025-08-31T10:08:22,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr 2025-08-31T10:08:22,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr 2025-08-31T10:08:22,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr 2025-08-31T10:08:22,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr 2025-08-31T10:08:22,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2 2025-08-31T10:08:22,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2 2025-08-31T10:08:22,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi 2025-08-31T10:08:22,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi 2025-08-31T10:08:22,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl 2025-08-31T10:08:22,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl 2025-08-31T10:08:22,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s 2025-08-31T10:08:22,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s 2025-08-31T10:08:22,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3 2025-08-31T10:08:22,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3 2025-08-31T10:08:22,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2 2025-08-31T10:08:22,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2 2025-08-31T10:08:22,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2 2025-08-31T10:08:22,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2 2025-08-31T10:08:22,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3 2025-08-31T10:08:22,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3 2025-08-31T10:08:22,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl 2025-08-31T10:08:22,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl 2025-08-31T10:08:22,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi 2025-08-31T10:08:22,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi 2025-08-31T10:08:22,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr 2025-08-31T10:08:22,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr 2025-08-31T10:08:22,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o 2025-08-31T10:08:22,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o 2025-08-31T10:08:22,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o 2025-08-31T10:08:22,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o 2025-08-31T10:08:22,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s 2025-08-31T10:08:22,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s 2025-08-31T10:08:22,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl 2025-08-31T10:08:22,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl 2025-08-31T10:08:22,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl 2025-08-31T10:08:22,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl 2025-08-31T10:08:22,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3 2025-08-31T10:08:22,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3 2025-08-31T10:08:22,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2 2025-08-31T10:08:22,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2 2025-08-31T10:08:22,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3 2025-08-31T10:08:22,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3 2025-08-31T10:08:22,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2 2025-08-31T10:08:22,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2 2025-08-31T10:08:22,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2 2025-08-31T10:08:22,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2 2025-08-31T10:08:22,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1 2025-08-31T10:08:22,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1 2025-08-31T10:08:22,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1 2025-08-31T10:08:22,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1 2025-08-31T10:08:22,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1 2025-08-31T10:08:22,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1 2025-08-31T10:08:22,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3 2025-08-31T10:08:22,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3 2025-08-31T10:08:22,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1 2025-08-31T10:08:22,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1 2025-08-31T10:08:22,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2 2025-08-31T10:08:22,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2 2025-08-31T10:08:22,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3 2025-08-31T10:08:22,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3 2025-08-31T10:08:22,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2 2025-08-31T10:08:22,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2 2025-08-31T10:08:22,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2 2025-08-31T10:08:22,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2 2025-08-31T10:08:22,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2 2025-08-31T10:08:22,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2 2025-08-31T10:08:22,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4 2025-08-31T10:08:22,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4 2025-08-31T10:08:22,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1 2025-08-31T10:08:22,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1 2025-08-31T10:08:22,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2 2025-08-31T10:08:22,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2 2025-08-31T10:08:22,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2 2025-08-31T10:08:22,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2 2025-08-31T10:08:22,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3 2025-08-31T10:08:22,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3 2025-08-31T10:08:22,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1 2025-08-31T10:08:22,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1 2025-08-31T10:08:22,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4 2025-08-31T10:08:22,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4 2025-08-31T10:08:22,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1 2025-08-31T10:08:22,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1 2025-08-31T10:08:22,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1 2025-08-31T10:08:22,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1 2025-08-31T10:08:22,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3 2025-08-31T10:08:22,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3 2025-08-31T10:08:22,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2 2025-08-31T10:08:22,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2 2025-08-31T10:08:22,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2 2025-08-31T10:08:22,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2 2025-08-31T10:08:22,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1 2025-08-31T10:08:22,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1 2025-08-31T10:08:22,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1 2025-08-31T10:08:22,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1 2025-08-31T10:08:22,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p 2025-08-31T10:08:22,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p 2025-08-31T10:08:22,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e 2025-08-31T10:08:22,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e 2025-08-31T10:08:22,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e 2025-08-31T10:08:22,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e 2025-08-31T10:08:22,554 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p 2025-08-31T10:08:22,555 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p 2025-08-31T10:08:22,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e 2025-08-31T10:08:22,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e 2025-08-31T10:08:22,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p 2025-08-31T10:08:22,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p 2025-08-31T10:08:22,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e 2025-08-31T10:08:22,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e 2025-08-31T10:08:22,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e 2025-08-31T10:08:22,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e 2025-08-31T10:08:22,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p 2025-08-31T10:08:22,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p 2025-08-31T10:08:22,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e 2025-08-31T10:08:22,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e 2025-08-31T10:08:22,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p 2025-08-31T10:08:22,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p 2025-08-31T10:08:22,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p 2025-08-31T10:08:22,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p 2025-08-31T10:08:22,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p 2025-08-31T10:08:22,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p 2025-08-31T10:08:22,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e 2025-08-31T10:08:22,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e 2025-08-31T10:08:22,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e 2025-08-31T10:08:22,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e 2025-08-31T10:08:22,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p 2025-08-31T10:08:22,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p 2025-08-31T10:08:22,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e 2025-08-31T10:08:22,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e 2025-08-31T10:08:22,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p 2025-08-31T10:08:22,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p 2025-08-31T10:08:22,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e 2025-08-31T10:08:22,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e 2025-08-31T10:08:22,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e 2025-08-31T10:08:22,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e 2025-08-31T10:08:22,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e 2025-08-31T10:08:22,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e 2025-08-31T10:08:22,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e 2025-08-31T10:08:22,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e 2025-08-31T10:08:22,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e 2025-08-31T10:08:22,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e 2025-08-31T10:08:22,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e 2025-08-31T10:08:22,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e 2025-08-31T10:08:22,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e 2025-08-31T10:08:22,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e 2025-08-31T10:08:22,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p 2025-08-31T10:08:22,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p 2025-08-31T10:08:22,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e 2025-08-31T10:08:22,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e 2025-08-31T10:08:22,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p 2025-08-31T10:08:22,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p 2025-08-31T10:08:22,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p 2025-08-31T10:08:22,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p 2025-08-31T10:08:22,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p 2025-08-31T10:08:22,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p 2025-08-31T10:08:22,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e 2025-08-31T10:08:22,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e 2025-08-31T10:08:22,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p 2025-08-31T10:08:22,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p 2025-08-31T10:08:22,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p 2025-08-31T10:08:22,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p 2025-08-31T10:08:22,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p 2025-08-31T10:08:22,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p 2025-08-31T10:08:22,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e 2025-08-31T10:08:22,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e 2025-08-31T10:08:22,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p 2025-08-31T10:08:22,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p 2025-08-31T10:08:22,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e 2025-08-31T10:08:22,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e 2025-08-31T10:08:22,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p 2025-08-31T10:08:22,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p 2025-08-31T10:08:22,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p 2025-08-31T10:08:22,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p 2025-08-31T10:08:22,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p 2025-08-31T10:08:22,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p 2025-08-31T10:08:22,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p 2025-08-31T10:08:22,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p 2025-08-31T10:08:22,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e 2025-08-31T10:08:22,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e 2025-08-31T10:08:22,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p 2025-08-31T10:08:22,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p 2025-08-31T10:08:22,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e 2025-08-31T10:08:22,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e 2025-08-31T10:08:22,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p 2025-08-31T10:08:22,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p 2025-08-31T10:08:22,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p 2025-08-31T10:08:22,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p 2025-08-31T10:08:22,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e 2025-08-31T10:08:22,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e 2025-08-31T10:08:22,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e 2025-08-31T10:08:22,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e 2025-08-31T10:08:22,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23 2025-08-31T10:08:22,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23 2025-08-31T10:08:22,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A 2025-08-31T10:08:22,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A 2025-08-31T10:08:22,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A 2025-08-31T10:08:22,728 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A 2025-08-31T10:08:22,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22 2025-08-31T10:08:22,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22 2025-08-31T10:08:22,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A 2025-08-31T10:08:22,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A 2025-08-31T10:08:22,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B 2025-08-31T10:08:22,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B 2025-08-31T10:08:22,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25 2025-08-31T10:08:22,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25 2025-08-31T10:08:22,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A 2025-08-31T10:08:22,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A 2025-08-31T10:08:22,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24 2025-08-31T10:08:22,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24 2025-08-31T10:08:22,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B 2025-08-31T10:08:22,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B 2025-08-31T10:08:22,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26 2025-08-31T10:08:22,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26 2025-08-31T10:08:22,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A 2025-08-31T10:08:22,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A 2025-08-31T10:08:22,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B 2025-08-31T10:08:22,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B 2025-08-31T10:08:22,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B 2025-08-31T10:08:22,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B 2025-08-31T10:08:22,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A 2025-08-31T10:08:22,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A 2025-08-31T10:08:22,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B 2025-08-31T10:08:22,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B 2025-08-31T10:08:22,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B 2025-08-31T10:08:22,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B 2025-08-31T10:08:22,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27 2025-08-31T10:08:22,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27 2025-08-31T10:08:22,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F 2025-08-31T10:08:22,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F 2025-08-31T10:08:22,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3 2025-08-31T10:08:22,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3 2025-08-31T10:08:22,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H 2025-08-31T10:08:22,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H 2025-08-31T10:08:22,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3 2025-08-31T10:08:22,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3 2025-08-31T10:08:22,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3 2025-08-31T10:08:22,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3 2025-08-31T10:08:22,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2 2025-08-31T10:08:22,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2 2025-08-31T10:08:22,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2 2025-08-31T10:08:22,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2 2025-08-31T10:08:22,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz 2025-08-31T10:08:22,812 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz 2025-08-31T10:08:22,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3 2025-08-31T10:08:22,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3 2025-08-31T10:08:22,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut 2025-08-31T10:08:22,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut 2025-08-31T10:08:22,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3 2025-08-31T10:08:22,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3 2025-08-31T10:08:22,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3 2025-08-31T10:08:22,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3 2025-08-31T10:08:22,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch 2025-08-31T10:08:22,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch 2025-08-31T10:08:22,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3 2025-08-31T10:08:22,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3 2025-08-31T10:08:22,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh 2025-08-31T10:08:22,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh 2025-08-31T10:08:22,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3 2025-08-31T10:08:22,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3 2025-08-31T10:08:22,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl 2025-08-31T10:08:22,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl 2025-08-31T10:08:22,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3 2025-08-31T10:08:22,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3 2025-08-31T10:08:22,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3 2025-08-31T10:08:22,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3 2025-08-31T10:08:22,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3 2025-08-31T10:08:22,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3 2025-08-31T10:08:22,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2 2025-08-31T10:08:22,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2 2025-08-31T10:08:22,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5 2025-08-31T10:08:22,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5 2025-08-31T10:08:22,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he 2025-08-31T10:08:22,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he 2025-08-31T10:08:22,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75 2025-08-31T10:08:22,872 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75 2025-08-31T10:08:22,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75 2025-08-31T10:08:22,878 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75 2025-08-31T10:08:22,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0 2025-08-31T10:08:22,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0 2025-08-31T10:08:22,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o 2025-08-31T10:08:22,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o 2025-08-31T10:08:22,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3 2025-08-31T10:08:22,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3 2025-08-31T10:08:22,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0 2025-08-31T10:08:22,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0 2025-08-31T10:08:22,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75 2025-08-31T10:08:22,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75 2025-08-31T10:08:22,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0 2025-08-31T10:08:22,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0 2025-08-31T10:08:22,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+ 2025-08-31T10:08:22,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+ 2025-08-31T10:08:22,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25 2025-08-31T10:08:22,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25 2025-08-31T10:08:22,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5 2025-08-31T10:08:22,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5 2025-08-31T10:08:22,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25 2025-08-31T10:08:22,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25 2025-08-31T10:08:22,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25 2025-08-31T10:08:22,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25 2025-08-31T10:08:22,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0 2025-08-31T10:08:22,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0 2025-08-31T10:08:22,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h 2025-08-31T10:08:22,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h 2025-08-31T10:08:22,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+ 2025-08-31T10:08:22,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+ 2025-08-31T10:08:22,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5 2025-08-31T10:08:22,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5 2025-08-31T10:08:22,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25 2025-08-31T10:08:22,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25 2025-08-31T10:08:22,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5 2025-08-31T10:08:22,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5 2025-08-31T10:08:22,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75 2025-08-31T10:08:22,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75 2025-08-31T10:08:22,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+ 2025-08-31T10:08:22,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+ 2025-08-31T10:08:22,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p 2025-08-31T10:08:22,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p 2025-08-31T10:08:22,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m 2025-08-31T10:08:22,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m 2025-08-31T10:08:22,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a 2025-08-31T10:08:22,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a 2025-08-31T10:08:22,963 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z 2025-08-31T10:08:22,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z 2025-08-31T10:08:22,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b 2025-08-31T10:08:22,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b 2025-08-31T10:08:22,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e 2025-08-31T10:08:22,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e 2025-08-31T10:08:22,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a 2025-08-31T10:08:22,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a 2025-08-31T10:08:22,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h 2025-08-31T10:08:22,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h 2025-08-31T10:08:22,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a 2025-08-31T10:08:22,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a 2025-08-31T10:08:22,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a 2025-08-31T10:08:22,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a 2025-08-31T10:08:22,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d 2025-08-31T10:08:22,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d 2025-08-31T10:08:22,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g 2025-08-31T10:08:22,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g 2025-08-31T10:08:22,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p 2025-08-31T10:08:22,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p 2025-08-31T10:08:22,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a 2025-08-31T10:08:22,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a 2025-08-31T10:08:23,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a 2025-08-31T10:08:23,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a 2025-08-31T10:08:23,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f 2025-08-31T10:08:23,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f 2025-08-31T10:08:23,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b 2025-08-31T10:08:23,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b 2025-08-31T10:08:23,010 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p 2025-08-31T10:08:23,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p 2025-08-31T10:08:23,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c 2025-08-31T10:08:23,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c 2025-08-31T10:08:23,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b 2025-08-31T10:08:23,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b 2025-08-31T10:08:23,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d 2025-08-31T10:08:23,021 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d 2025-08-31T10:08:23,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p 2025-08-31T10:08:23,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p 2025-08-31T10:08:23,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b 2025-08-31T10:08:23,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b 2025-08-31T10:08:23,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa 2025-08-31T10:08:23,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa 2025-08-31T10:08:23,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4 2025-08-31T10:08:23,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4 2025-08-31T10:08:23,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8 2025-08-31T10:08:23,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8 2025-08-31T10:08:23,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3 2025-08-31T10:08:23,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3 2025-08-31T10:08:23,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10 2025-08-31T10:08:23,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10 2025-08-31T10:08:23,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7 2025-08-31T10:08:23,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7 2025-08-31T10:08:23,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6 2025-08-31T10:08:23,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6 2025-08-31T10:08:23,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1 2025-08-31T10:08:23,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1 2025-08-31T10:08:23,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2 2025-08-31T10:08:23,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2 2025-08-31T10:08:23,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5 2025-08-31T10:08:23,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5 2025-08-31T10:08:23,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9 2025-08-31T10:08:23,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9 2025-08-31T10:08:23,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a 2025-08-31T10:08:23,071 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a 2025-08-31T10:08:23,073 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b 2025-08-31T10:08:23,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b 2025-08-31T10:08:23,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a 2025-08-31T10:08:23,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a 2025-08-31T10:08:23,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a 2025-08-31T10:08:23,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a 2025-08-31T10:08:23,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b 2025-08-31T10:08:23,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b 2025-08-31T10:08:23,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b 2025-08-31T10:08:23,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b 2025-08-31T10:08:23,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b 2025-08-31T10:08:23,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b 2025-08-31T10:08:23,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a 2025-08-31T10:08:23,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a 2025-08-31T10:08:23,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a 2025-08-31T10:08:23,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a 2025-08-31T10:08:23,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a 2025-08-31T10:08:23,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a 2025-08-31T10:08:23,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c 2025-08-31T10:08:23,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c 2025-08-31T10:08:23,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d 2025-08-31T10:08:23,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d 2025-08-31T10:08:23,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d 2025-08-31T10:08:23,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d 2025-08-31T10:08:23,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a 2025-08-31T10:08:23,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a 2025-08-31T10:08:23,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a 2025-08-31T10:08:23,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a 2025-08-31T10:08:23,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a 2025-08-31T10:08:23,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a 2025-08-31T10:08:23,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b 2025-08-31T10:08:23,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b 2025-08-31T10:08:23,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b 2025-08-31T10:08:23,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b 2025-08-31T10:08:23,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b 2025-08-31T10:08:23,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b 2025-08-31T10:08:23,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a 2025-08-31T10:08:23,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a 2025-08-31T10:08:23,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b 2025-08-31T10:08:23,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b 2025-08-31T10:08:23,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c 2025-08-31T10:08:23,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c 2025-08-31T10:08:23,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b 2025-08-31T10:08:23,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b 2025-08-31T10:08:23,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b 2025-08-31T10:08:23,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b 2025-08-31T10:08:23,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c 2025-08-31T10:08:23,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c 2025-08-31T10:08:23,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2 2025-08-31T10:08:23,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2 2025-08-31T10:08:23,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene 2025-08-31T10:08:23,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene 2025-08-31T10:08:23,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11 2025-08-31T10:08:23,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11 2025-08-31T10:08:23,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S 2025-08-31T10:08:23,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S 2025-08-31T10:08:23,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H 2025-08-31T10:08:23,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H 2025-08-31T10:08:23,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane 2025-08-31T10:08:23,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane 2025-08-31T10:08:23,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane 2025-08-31T10:08:23,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane 2025-08-31T10:08:23,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole 2025-08-31T10:08:23,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole 2025-08-31T10:08:23,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H 2025-08-31T10:08:23,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H 2025-08-31T10:08:23,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3 2025-08-31T10:08:23,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3 2025-08-31T10:08:23,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2 2025-08-31T10:08:23,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2 2025-08-31T10:08:23,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol 2025-08-31T10:08:23,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol 2025-08-31T10:08:23,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole 2025-08-31T10:08:23,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole 2025-08-31T10:08:23,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2 2025-08-31T10:08:23,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2 2025-08-31T10:08:23,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene 2025-08-31T10:08:23,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene 2025-08-31T10:08:23,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole 2025-08-31T10:08:23,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole 2025-08-31T10:08:23,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH 2025-08-31T10:08:23,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH 2025-08-31T10:08:23,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine 2025-08-31T10:08:23,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine 2025-08-31T10:08:23,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene 2025-08-31T10:08:23,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene 2025-08-31T10:08:23,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2 2025-08-31T10:08:23,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2 2025-08-31T10:08:23,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane 2025-08-31T10:08:23,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane 2025-08-31T10:08:23,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene 2025-08-31T10:08:23,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene 2025-08-31T10:08:23,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO 2025-08-31T10:08:23,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO 2025-08-31T10:08:23,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane 2025-08-31T10:08:23,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane 2025-08-31T10:08:23,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2 2025-08-31T10:08:23,233 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2 2025-08-31T10:08:23,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2 2025-08-31T10:08:23,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2 2025-08-31T10:08:23,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran 2025-08-31T10:08:23,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran 2025-08-31T10:08:23,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN 2025-08-31T10:08:23,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN 2025-08-31T10:08:23,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane 2025-08-31T10:08:23,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane 2025-08-31T10:08:23,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2 2025-08-31T10:08:23,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2 2025-08-31T10:08:23,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole 2025-08-31T10:08:23,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole 2025-08-31T10:08:23,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene 2025-08-31T10:08:23,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene 2025-08-31T10:08:23,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2 2025-08-31T10:08:23,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2 2025-08-31T10:08:23,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO 2025-08-31T10:08:23,263 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO 2025-08-31T10:08:23,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol 2025-08-31T10:08:23,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol 2025-08-31T10:08:23,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene 2025-08-31T10:08:23,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene 2025-08-31T10:08:23,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2 2025-08-31T10:08:23,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2 2025-08-31T10:08:23,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3 2025-08-31T10:08:23,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3 2025-08-31T10:08:23,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone 2025-08-31T10:08:23,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone 2025-08-31T10:08:23,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone 2025-08-31T10:08:23,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone 2025-08-31T10:08:23,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2 2025-08-31T10:08:23,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2 2025-08-31T10:08:23,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne 2025-08-31T10:08:23,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne 2025-08-31T10:08:23,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane 2025-08-31T10:08:23,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane 2025-08-31T10:08:23,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H 2025-08-31T10:08:23,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H 2025-08-31T10:08:23,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine 2025-08-31T10:08:23,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine 2025-08-31T10:08:23,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2 2025-08-31T10:08:23,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2 2025-08-31T10:08:23,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2 2025-08-31T10:08:23,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2 2025-08-31T10:08:23,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2 2025-08-31T10:08:23,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2 2025-08-31T10:08:23,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2 2025-08-31T10:08:23,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2 2025-08-31T10:08:23,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene 2025-08-31T10:08:23,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene 2025-08-31T10:08:23,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO 2025-08-31T10:08:23,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO 2025-08-31T10:08:23,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2 2025-08-31T10:08:23,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2 2025-08-31T10:08:23,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne 2025-08-31T10:08:23,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne 2025-08-31T10:08:23,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane 2025-08-31T10:08:23,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane 2025-08-31T10:08:23,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3 2025-08-31T10:08:23,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3 2025-08-31T10:08:23,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2 2025-08-31T10:08:23,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2 2025-08-31T10:08:23,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne 2025-08-31T10:08:23,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne 2025-08-31T10:08:23,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO 2025-08-31T10:08:23,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO 2025-08-31T10:08:23,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O 2025-08-31T10:08:23,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O 2025-08-31T10:08:23,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane 2025-08-31T10:08:23,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane 2025-08-31T10:08:23,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2 2025-08-31T10:08:23,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2 2025-08-31T10:08:23,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2025-08-31T10:08:23,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2025-08-31T10:08:23,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3 2025-08-31T10:08:23,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3 2025-08-31T10:08:23,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene 2025-08-31T10:08:23,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene 2025-08-31T10:08:23,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane 2025-08-31T10:08:23,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane 2025-08-31T10:08:23,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne 2025-08-31T10:08:23,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne 2025-08-31T10:08:23,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol 2025-08-31T10:08:23,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol 2025-08-31T10:08:23,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane 2025-08-31T10:08:23,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane 2025-08-31T10:08:23,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H 2025-08-31T10:08:23,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H 2025-08-31T10:08:23,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione 2025-08-31T10:08:23,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione 2025-08-31T10:08:23,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H 2025-08-31T10:08:23,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H 2025-08-31T10:08:23,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene 2025-08-31T10:08:23,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene 2025-08-31T10:08:23,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN 2025-08-31T10:08:23,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN 2025-08-31T10:08:23,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran 2025-08-31T10:08:23,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran 2025-08-31T10:08:23,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene 2025-08-31T10:08:23,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene 2025-08-31T10:08:23,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO 2025-08-31T10:08:23,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO 2025-08-31T10:08:23,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl 2025-08-31T10:08:23,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl 2025-08-31T10:08:23,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3 2025-08-31T10:08:23,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3 2025-08-31T10:08:23,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene 2025-08-31T10:08:23,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene 2025-08-31T10:08:23,412 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene 2025-08-31T10:08:23,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene 2025-08-31T10:08:23,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO 2025-08-31T10:08:23,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO 2025-08-31T10:08:23,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2 2025-08-31T10:08:23,420 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2 2025-08-31T10:08:23,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2 2025-08-31T10:08:23,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2 2025-08-31T10:08:23,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O 2025-08-31T10:08:23,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O 2025-08-31T10:08:23,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol 2025-08-31T10:08:23,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol 2025-08-31T10:08:23,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2025-08-31T10:08:23,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2025-08-31T10:08:23,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO 2025-08-31T10:08:23,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO 2025-08-31T10:08:23,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5 2025-08-31T10:08:23,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5 2025-08-31T10:08:23,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29 2025-08-31T10:08:23,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29 2025-08-31T10:08:23,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45 2025-08-31T10:08:23,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45 2025-08-31T10:08:23,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1 2025-08-31T10:08:23,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1 2025-08-31T10:08:23,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13 2025-08-31T10:08:23,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13 2025-08-31T10:08:23,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35 2025-08-31T10:08:23,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35 2025-08-31T10:08:23,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40 2025-08-31T10:08:23,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40 2025-08-31T10:08:23,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17 2025-08-31T10:08:23,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17 2025-08-31T10:08:23,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18 2025-08-31T10:08:23,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18 2025-08-31T10:08:23,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17 2025-08-31T10:08:23,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17 2025-08-31T10:08:23,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36 2025-08-31T10:08:23,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36 2025-08-31T10:08:23,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15 2025-08-31T10:08:23,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15 2025-08-31T10:08:23,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32 2025-08-31T10:08:23,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32 2025-08-31T10:08:23,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42 2025-08-31T10:08:23,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42 2025-08-31T10:08:23,485 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12 2025-08-31T10:08:23,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12 2025-08-31T10:08:23,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40 2025-08-31T10:08:23,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40 2025-08-31T10:08:23,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5 2025-08-31T10:08:23,492 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5 2025-08-31T10:08:23,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6 2025-08-31T10:08:23,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6 2025-08-31T10:08:23,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28 2025-08-31T10:08:23,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28 2025-08-31T10:08:23,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36 2025-08-31T10:08:23,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36 2025-08-31T10:08:23,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22 2025-08-31T10:08:23,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22 2025-08-31T10:08:23,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33 2025-08-31T10:08:23,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33 2025-08-31T10:08:23,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44 2025-08-31T10:08:23,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44 2025-08-31T10:08:23,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18 2025-08-31T10:08:23,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18 2025-08-31T10:08:23,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7 2025-08-31T10:08:23,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7 2025-08-31T10:08:23,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20 2025-08-31T10:08:23,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20 2025-08-31T10:08:23,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25 2025-08-31T10:08:23,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25 2025-08-31T10:08:23,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23 2025-08-31T10:08:23,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23 2025-08-31T10:08:23,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8 2025-08-31T10:08:23,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8 2025-08-31T10:08:23,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3 2025-08-31T10:08:23,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3 2025-08-31T10:08:23,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4 2025-08-31T10:08:23,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4 2025-08-31T10:08:23,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7 2025-08-31T10:08:23,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7 2025-08-31T10:08:23,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19 2025-08-31T10:08:23,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19 2025-08-31T10:08:23,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27 2025-08-31T10:08:23,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27 2025-08-31T10:08:23,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30 2025-08-31T10:08:23,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30 2025-08-31T10:08:23,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33 2025-08-31T10:08:23,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33 2025-08-31T10:08:23,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9 2025-08-31T10:08:23,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9 2025-08-31T10:08:23,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27 2025-08-31T10:08:23,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27 2025-08-31T10:08:23,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43 2025-08-31T10:08:23,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43 2025-08-31T10:08:23,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25 2025-08-31T10:08:23,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25 2025-08-31T10:08:23,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16 2025-08-31T10:08:23,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16 2025-08-31T10:08:23,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21 2025-08-31T10:08:23,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21 2025-08-31T10:08:23,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12 2025-08-31T10:08:23,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12 2025-08-31T10:08:23,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43 2025-08-31T10:08:23,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43 2025-08-31T10:08:23,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6 2025-08-31T10:08:23,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6 2025-08-31T10:08:23,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39 2025-08-31T10:08:23,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39 2025-08-31T10:08:23,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31 2025-08-31T10:08:23,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31 2025-08-31T10:08:23,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4 2025-08-31T10:08:23,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4 2025-08-31T10:08:23,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16 2025-08-31T10:08:23,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16 2025-08-31T10:08:23,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2 2025-08-31T10:08:23,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2 2025-08-31T10:08:23,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20 2025-08-31T10:08:23,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20 2025-08-31T10:08:23,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35 2025-08-31T10:08:23,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35 2025-08-31T10:08:23,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37 2025-08-31T10:08:23,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37 2025-08-31T10:08:23,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13 2025-08-31T10:08:23,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13 2025-08-31T10:08:23,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39 2025-08-31T10:08:23,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39 2025-08-31T10:08:23,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30 2025-08-31T10:08:23,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30 2025-08-31T10:08:23,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24 2025-08-31T10:08:23,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24 2025-08-31T10:08:23,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42 2025-08-31T10:08:23,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42 2025-08-31T10:08:23,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34 2025-08-31T10:08:23,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34 2025-08-31T10:08:23,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24 2025-08-31T10:08:23,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24 2025-08-31T10:08:23,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19 2025-08-31T10:08:23,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19 2025-08-31T10:08:23,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34 2025-08-31T10:08:23,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34 2025-08-31T10:08:23,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31 2025-08-31T10:08:23,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31 2025-08-31T10:08:23,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38 2025-08-31T10:08:23,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38 2025-08-31T10:08:23,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22 2025-08-31T10:08:23,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22 2025-08-31T10:08:23,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8 2025-08-31T10:08:23,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8 2025-08-31T10:08:23,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23 2025-08-31T10:08:23,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23 2025-08-31T10:08:23,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1 2025-08-31T10:08:23,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1 2025-08-31T10:08:23,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26 2025-08-31T10:08:23,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26 2025-08-31T10:08:23,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38 2025-08-31T10:08:23,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38 2025-08-31T10:08:23,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10 2025-08-31T10:08:23,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10 2025-08-31T10:08:23,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41 2025-08-31T10:08:23,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41 2025-08-31T10:08:23,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45 2025-08-31T10:08:23,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45 2025-08-31T10:08:23,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21 2025-08-31T10:08:23,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21 2025-08-31T10:08:23,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37 2025-08-31T10:08:23,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37 2025-08-31T10:08:23,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9 2025-08-31T10:08:23,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9 2025-08-31T10:08:23,690 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11 2025-08-31T10:08:23,691 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11 2025-08-31T10:08:23,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32 2025-08-31T10:08:23,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32 2025-08-31T10:08:23,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15 2025-08-31T10:08:23,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15 2025-08-31T10:08:23,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28 2025-08-31T10:08:23,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28 2025-08-31T10:08:23,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26 2025-08-31T10:08:23,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26 2025-08-31T10:08:23,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29 2025-08-31T10:08:23,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29 2025-08-31T10:08:23,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3 2025-08-31T10:08:23,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3 2025-08-31T10:08:23,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41 2025-08-31T10:08:23,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41 2025-08-31T10:08:23,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2 2025-08-31T10:08:23,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2 2025-08-31T10:08:23,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44 2025-08-31T10:08:23,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44 2025-08-31T10:08:23,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10 2025-08-31T10:08:23,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10 2025-08-31T10:08:23,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11 2025-08-31T10:08:23,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11 2025-08-31T10:08:23,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio 2025-08-31T10:08:23,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio 2025-08-31T10:08:23,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf 2025-08-31T10:08:23,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf 2025-08-31T10:08:23,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k 2025-08-31T10:08:23,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k 2025-08-31T10:08:23,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be 2025-08-31T10:08:23,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be 2025-08-31T10:08:23,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s 2025-08-31T10:08:23,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s 2025-08-31T10:08:23,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf 2025-08-31T10:08:23,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf 2025-08-31T10:08:23,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo 2025-08-31T10:08:23,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo 2025-08-31T10:08:23,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o 2025-08-31T10:08:23,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o 2025-08-31T10:08:23,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo 2025-08-31T10:08:23,760 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo 2025-08-31T10:08:23,762 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs 2025-08-31T10:08:23,763 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs 2025-08-31T10:08:23,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao 2025-08-31T10:08:23,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao 2025-08-31T10:08:23,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao 2025-08-31T10:08:23,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao 2025-08-31T10:08:23,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg 2025-08-31T10:08:23,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg 2025-08-31T10:08:23,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li 2025-08-31T10:08:23,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li 2025-08-31T10:08:23,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h 2025-08-31T10:08:23,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h 2025-08-31T10:08:23,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca 2025-08-31T10:08:23,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca 2025-08-31T10:08:23,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na 2025-08-31T10:08:23,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na 2025-08-31T10:08:23,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif 2025-08-31T10:08:23,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif 2025-08-31T10:08:23,794 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f 2025-08-31T10:08:23,795 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f 2025-08-31T10:08:23,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef 2025-08-31T10:08:23,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef 2025-08-31T10:08:23,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121 2025-08-31T10:08:23,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121 2025-08-31T10:08:23,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94 2025-08-31T10:08:23,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94 2025-08-31T10:08:23,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68 2025-08-31T10:08:23,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68 2025-08-31T10:08:23,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23 2025-08-31T10:08:23,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23 2025-08-31T10:08:23,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8 2025-08-31T10:08:23,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8 2025-08-31T10:08:23,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30 2025-08-31T10:08:23,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30 2025-08-31T10:08:23,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57 2025-08-31T10:08:23,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57 2025-08-31T10:08:23,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106 2025-08-31T10:08:23,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106 2025-08-31T10:08:23,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56 2025-08-31T10:08:23,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56 2025-08-31T10:08:23,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60 2025-08-31T10:08:23,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60 2025-08-31T10:08:23,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61 2025-08-31T10:08:23,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61 2025-08-31T10:08:23,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88 2025-08-31T10:08:23,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88 2025-08-31T10:08:23,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126 2025-08-31T10:08:23,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126 2025-08-31T10:08:23,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34 2025-08-31T10:08:23,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34 2025-08-31T10:08:23,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113 2025-08-31T10:08:23,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113 2025-08-31T10:08:23,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73 2025-08-31T10:08:23,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73 2025-08-31T10:08:23,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118 2025-08-31T10:08:23,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118 2025-08-31T10:08:23,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97 2025-08-31T10:08:23,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97 2025-08-31T10:08:23,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67 2025-08-31T10:08:23,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67 2025-08-31T10:08:23,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22 2025-08-31T10:08:23,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22 2025-08-31T10:08:23,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18 2025-08-31T10:08:23,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18 2025-08-31T10:08:23,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52 2025-08-31T10:08:23,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52 2025-08-31T10:08:23,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59 2025-08-31T10:08:23,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59 2025-08-31T10:08:23,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40 2025-08-31T10:08:23,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40 2025-08-31T10:08:23,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47 2025-08-31T10:08:23,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47 2025-08-31T10:08:23,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21 2025-08-31T10:08:23,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21 2025-08-31T10:08:23,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66 2025-08-31T10:08:23,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66 2025-08-31T10:08:23,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13 2025-08-31T10:08:23,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13 2025-08-31T10:08:23,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58 2025-08-31T10:08:23,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58 2025-08-31T10:08:23,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25 2025-08-31T10:08:23,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25 2025-08-31T10:08:23,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32 2025-08-31T10:08:23,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32 2025-08-31T10:08:23,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6 2025-08-31T10:08:23,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6 2025-08-31T10:08:23,914 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14 2025-08-31T10:08:23,915 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14 2025-08-31T10:08:23,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1 2025-08-31T10:08:23,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1 2025-08-31T10:08:23,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24 2025-08-31T10:08:23,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24 2025-08-31T10:08:23,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45 2025-08-31T10:08:23,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45 2025-08-31T10:08:23,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26 2025-08-31T10:08:23,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26 2025-08-31T10:08:23,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104 2025-08-31T10:08:23,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104 2025-08-31T10:08:23,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100 2025-08-31T10:08:23,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100 2025-08-31T10:08:23,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33 2025-08-31T10:08:23,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33 2025-08-31T10:08:23,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51 2025-08-31T10:08:23,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51 2025-08-31T10:08:23,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39 2025-08-31T10:08:23,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39 2025-08-31T10:08:23,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117 2025-08-31T10:08:23,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117 2025-08-31T10:08:23,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128 2025-08-31T10:08:23,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128 2025-08-31T10:08:23,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82 2025-08-31T10:08:23,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82 2025-08-31T10:08:23,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62 2025-08-31T10:08:23,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62 2025-08-31T10:08:23,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11 2025-08-31T10:08:23,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11 2025-08-31T10:08:23,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n 2025-08-31T10:08:23,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n 2025-08-31T10:08:23,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n 2025-08-31T10:08:23,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n 2025-08-31T10:08:23,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s 2025-08-31T10:08:23,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s 2025-08-31T10:08:23,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10 2025-08-31T10:08:23,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10 2025-08-31T10:08:23,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11 2025-08-31T10:08:23,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11 2025-08-31T10:08:23,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8 2025-08-31T10:08:23,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8 2025-08-31T10:08:23,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n 2025-08-31T10:08:23,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n 2025-08-31T10:08:23,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16 2025-08-31T10:08:23,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16 2025-08-31T10:08:23,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n 2025-08-31T10:08:23,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n 2025-08-31T10:08:23,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n 2025-08-31T10:08:23,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n 2025-08-31T10:08:23,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13 2025-08-31T10:08:24,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13 2025-08-31T10:08:24,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20 2025-08-31T10:08:24,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20 2025-08-31T10:08:24,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19 2025-08-31T10:08:24,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19 2025-08-31T10:08:24,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n 2025-08-31T10:08:24,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n 2025-08-31T10:08:24,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n 2025-08-31T10:08:24,013 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n 2025-08-31T10:08:24,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p- 2025-08-31T10:08:24,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p- 2025-08-31T10:08:24,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c- 2025-08-31T10:08:24,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c- 2025-08-31T10:08:24,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o- 2025-08-31T10:08:24,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o- 2025-08-31T10:08:24,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22 2025-08-31T10:08:24,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22 2025-08-31T10:08:24,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23 2025-08-31T10:08:24,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23 2025-08-31T10:08:24,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12 2025-08-31T10:08:24,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12 2025-08-31T10:08:24,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si 2025-08-31T10:08:24,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si 2025-08-31T10:08:24,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl 2025-08-31T10:08:24,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl 2025-08-31T10:08:24,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9 2025-08-31T10:08:24,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9 2025-08-31T10:08:24,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15 2025-08-31T10:08:24,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15 2025-08-31T10:08:24,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25 2025-08-31T10:08:24,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25 2025-08-31T10:08:24,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si- 2025-08-31T10:08:24,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si- 2025-08-31T10:08:24,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n 2025-08-31T10:08:24,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n 2025-08-31T10:08:24,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl- 2025-08-31T10:08:24,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl- 2025-08-31T10:08:24,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n 2025-08-31T10:08:24,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n 2025-08-31T10:08:24,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f- 2025-08-31T10:08:24,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f- 2025-08-31T10:08:24,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f 2025-08-31T10:08:24,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f 2025-08-31T10:08:24,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14 2025-08-31T10:08:24,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14 2025-08-31T10:08:24,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c 2025-08-31T10:08:24,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c 2025-08-31T10:08:24,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17 2025-08-31T10:08:24,081 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17 2025-08-31T10:08:24,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n 2025-08-31T10:08:24,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n 2025-08-31T10:08:24,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n 2025-08-31T10:08:24,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n 2025-08-31T10:08:24,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n 2025-08-31T10:08:24,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n 2025-08-31T10:08:24,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n 2025-08-31T10:08:24,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n 2025-08-31T10:08:24,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s- 2025-08-31T10:08:24,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s- 2025-08-31T10:08:24,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n 2025-08-31T10:08:24,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n 2025-08-31T10:08:24,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n 2025-08-31T10:08:24,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n 2025-08-31T10:08:24,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n 2025-08-31T10:08:24,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n 2025-08-31T10:08:24,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o 2025-08-31T10:08:24,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o 2025-08-31T10:08:24,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n 2025-08-31T10:08:24,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n 2025-08-31T10:08:24,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p 2025-08-31T10:08:24,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p 2025-08-31T10:08:24,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24 2025-08-31T10:08:24,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24 2025-08-31T10:08:24,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18 2025-08-31T10:08:24,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18 2025-08-31T10:08:24,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n 2025-08-31T10:08:24,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n 2025-08-31T10:08:24,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21 2025-08-31T10:08:24,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21 2025-08-31T10:08:24,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5 2025-08-31T10:08:24,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5 2025-08-31T10:08:24,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5 2025-08-31T10:08:24,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5 2025-08-31T10:08:24,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3 2025-08-31T10:08:24,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3 2025-08-31T10:08:24,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7 2025-08-31T10:08:24,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7 2025-08-31T10:08:24,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4 2025-08-31T10:08:24,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4 2025-08-31T10:08:24,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6 2025-08-31T10:08:24,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6 2025-08-31T10:08:24,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2 2025-08-31T10:08:24,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2 2025-08-31T10:08:24,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6 2025-08-31T10:08:24,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6 2025-08-31T10:08:24,162 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7 2025-08-31T10:08:24,163 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7 2025-08-31T10:08:24,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4 2025-08-31T10:08:24,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4 2025-08-31T10:08:24,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3 2025-08-31T10:08:24,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3 2025-08-31T10:08:24,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2 2025-08-31T10:08:24,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2 2025-08-31T10:08:24,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3 2025-08-31T10:08:24,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3 2025-08-31T10:08:24,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4 2025-08-31T10:08:24,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4 2025-08-31T10:08:24,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5 2025-08-31T10:08:24,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5 2025-08-31T10:08:24,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4 2025-08-31T10:08:24,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4 2025-08-31T10:08:24,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts 2025-08-31T10:08:24,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts 2025-08-31T10:08:24,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts 2025-08-31T10:08:24,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts 2025-08-31T10:08:24,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o 2025-08-31T10:08:24,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o 2025-08-31T10:08:24,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3 2025-08-31T10:08:24,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3 2025-08-31T10:08:24,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6 2025-08-31T10:08:24,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6 2025-08-31T10:08:24,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2 2025-08-31T10:08:24,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2 2025-08-31T10:08:24,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf 2025-08-31T10:08:24,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf 2025-08-31T10:08:24,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5 2025-08-31T10:08:24,215 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5 2025-08-31T10:08:24,217 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts 2025-08-31T10:08:24,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts 2025-08-31T10:08:24,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2 2025-08-31T10:08:24,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2 2025-08-31T10:08:24,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts 2025-08-31T10:08:24,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts 2025-08-31T10:08:24,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4 2025-08-31T10:08:24,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4 2025-08-31T10:08:24,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3 2025-08-31T10:08:24,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3 2025-08-31T10:08:24,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts 2025-08-31T10:08:24,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts 2025-08-31T10:08:24,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6 2025-08-31T10:08:24,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6 2025-08-31T10:08:24,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts 2025-08-31T10:08:24,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts 2025-08-31T10:08:24,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts 2025-08-31T10:08:24,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts 2025-08-31T10:08:24,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts 2025-08-31T10:08:24,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts 2025-08-31T10:08:24,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts 2025-08-31T10:08:24,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts 2025-08-31T10:08:24,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts 2025-08-31T10:08:24,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts 2025-08-31T10:08:24,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts 2025-08-31T10:08:24,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts 2025-08-31T10:08:24,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts 2025-08-31T10:08:24,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts 2025-08-31T10:08:24,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2 2025-08-31T10:08:24,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2 2025-08-31T10:08:24,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3 2025-08-31T10:08:24,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3 2025-08-31T10:08:24,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts 2025-08-31T10:08:24,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts 2025-08-31T10:08:24,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1 2025-08-31T10:08:24,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1 2025-08-31T10:08:24,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH 2025-08-31T10:08:24,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH 2025-08-31T10:08:24,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein 2025-08-31T10:08:24,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein 2025-08-31T10:08:24,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X 2025-08-31T10:08:24,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X 2025-08-31T10:08:24,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5 2025-08-31T10:08:24,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5 2025-08-31T10:08:24,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene 2025-08-31T10:08:24,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene 2025-08-31T10:08:24,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7 2025-08-31T10:08:24,300 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7 2025-08-31T10:08:24,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8 2025-08-31T10:08:24,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8 2025-08-31T10:08:24,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane 2025-08-31T10:08:24,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane 2025-08-31T10:08:24,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3 2025-08-31T10:08:24,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3 2025-08-31T10:08:24,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6 2025-08-31T10:08:24,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6 2025-08-31T10:08:24,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4 2025-08-31T10:08:24,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4 2025-08-31T10:08:24,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine 2025-08-31T10:08:24,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine 2025-08-31T10:08:24,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X 2025-08-31T10:08:24,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X 2025-08-31T10:08:24,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X 2025-08-31T10:08:24,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X 2025-08-31T10:08:24,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene 2025-08-31T10:08:24,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene 2025-08-31T10:08:24,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10 2025-08-31T10:08:24,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10 2025-08-31T10:08:24,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene 2025-08-31T10:08:24,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene 2025-08-31T10:08:24,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene 2025-08-31T10:08:24,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene 2025-08-31T10:08:24,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9 2025-08-31T10:08:24,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9 2025-08-31T10:08:24,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2 2025-08-31T10:08:24,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2 2025-08-31T10:08:24,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X 2025-08-31T10:08:24,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X 2025-08-31T10:08:24,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6 2025-08-31T10:08:24,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6 2025-08-31T10:08:24,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b 2025-08-31T10:08:24,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b 2025-08-31T10:08:24,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs 2025-08-31T10:08:24,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs 2025-08-31T10:08:24,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6 2025-08-31T10:08:24,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6 2025-08-31T10:08:24,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O 2025-08-31T10:08:24,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O 2025-08-31T10:08:24,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d 2025-08-31T10:08:24,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d 2025-08-31T10:08:24,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2 2025-08-31T10:08:24,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2 2025-08-31T10:08:24,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3 2025-08-31T10:08:24,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3 2025-08-31T10:08:24,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4 2025-08-31T10:08:24,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4 2025-08-31T10:08:24,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2 2025-08-31T10:08:24,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2 2025-08-31T10:08:24,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5 2025-08-31T10:08:24,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5 2025-08-31T10:08:24,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5 2025-08-31T10:08:24,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5 2025-08-31T10:08:24,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs 2025-08-31T10:08:24,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs 2025-08-31T10:08:24,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2 2025-08-31T10:08:24,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2 2025-08-31T10:08:24,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4 2025-08-31T10:08:24,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4 2025-08-31T10:08:24,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20 2025-08-31T10:08:24,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20 2025-08-31T10:08:24,412 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d 2025-08-31T10:08:24,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d 2025-08-31T10:08:24,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3 2025-08-31T10:08:24,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3 2025-08-31T10:08:24,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op 2025-08-31T10:08:24,420 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op 2025-08-31T10:08:24,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4 2025-08-31T10:08:24,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4 2025-08-31T10:08:24,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c 2025-08-31T10:08:24,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c 2025-08-31T10:08:24,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O 2025-08-31T10:08:24,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O 2025-08-31T10:08:24,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm 2025-08-31T10:08:24,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm 2025-08-31T10:08:24,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2 2025-08-31T10:08:24,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2 2025-08-31T10:08:24,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm 2025-08-31T10:08:24,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm 2025-08-31T10:08:24,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc 2025-08-31T10:08:24,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc 2025-08-31T10:08:24,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d 2025-08-31T10:08:24,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d 2025-08-31T10:08:24,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es 2025-08-31T10:08:24,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es 2025-08-31T10:08:24,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O 2025-08-31T10:08:24,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O 2025-08-31T10:08:24,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3 2025-08-31T10:08:24,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3 2025-08-31T10:08:24,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f- 2025-08-31T10:08:24,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f- 2025-08-31T10:08:24,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S 2025-08-31T10:08:24,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S 2025-08-31T10:08:24,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08 2025-08-31T10:08:24,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08 2025-08-31T10:08:24,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts 2025-08-31T10:08:24,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts 2025-08-31T10:08:24,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh 2025-08-31T10:08:24,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh 2025-08-31T10:08:24,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc 2025-08-31T10:08:24,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc 2025-08-31T10:08:24,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7 2025-08-31T10:08:24,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7 2025-08-31T10:08:24,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06 2025-08-31T10:08:24,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06 2025-08-31T10:08:24,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O 2025-08-31T10:08:24,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O 2025-08-31T10:08:24,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07 2025-08-31T10:08:24,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07 2025-08-31T10:08:24,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts 2025-08-31T10:08:24,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts 2025-08-31T10:08:24,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21 2025-08-31T10:08:24,504 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21 2025-08-31T10:08:24,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf 2025-08-31T10:08:24,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf 2025-08-31T10:08:24,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts 2025-08-31T10:08:24,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts 2025-08-31T10:08:24,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22 2025-08-31T10:08:24,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22 2025-08-31T10:08:24,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13 2025-08-31T10:08:24,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13 2025-08-31T10:08:24,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts 2025-08-31T10:08:24,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts 2025-08-31T10:08:24,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5 2025-08-31T10:08:24,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5 2025-08-31T10:08:24,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1 2025-08-31T10:08:24,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1 2025-08-31T10:08:24,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2 2025-08-31T10:08:24,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2 2025-08-31T10:08:24,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12 2025-08-31T10:08:24,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12 2025-08-31T10:08:24,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh- 2025-08-31T10:08:24,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh- 2025-08-31T10:08:24,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco 2025-08-31T10:08:24,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco 2025-08-31T10:08:24,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf 2025-08-31T10:08:24,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf 2025-08-31T10:08:24,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2 2025-08-31T10:08:24,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2 2025-08-31T10:08:24,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4 2025-08-31T10:08:24,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4 2025-08-31T10:08:24,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts 2025-08-31T10:08:24,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts 2025-08-31T10:08:24,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2 2025-08-31T10:08:24,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2 2025-08-31T10:08:24,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp 2025-08-31T10:08:24,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp 2025-08-31T10:08:24,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH 2025-08-31T10:08:24,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH 2025-08-31T10:08:24,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f 2025-08-31T10:08:24,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f 2025-08-31T10:08:24,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts 2025-08-31T10:08:24,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts 2025-08-31T10:08:24,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2 2025-08-31T10:08:24,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2 2025-08-31T10:08:24,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11 2025-08-31T10:08:24,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11 2025-08-31T10:08:24,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03 2025-08-31T10:08:24,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03 2025-08-31T10:08:24,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20 2025-08-31T10:08:24,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20 2025-08-31T10:08:24,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17 2025-08-31T10:08:24,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17 2025-08-31T10:08:24,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15 2025-08-31T10:08:24,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15 2025-08-31T10:08:24,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3 2025-08-31T10:08:24,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3 2025-08-31T10:08:24,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts 2025-08-31T10:08:24,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts 2025-08-31T10:08:24,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts 2025-08-31T10:08:24,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts 2025-08-31T10:08:24,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8 2025-08-31T10:08:24,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8 2025-08-31T10:08:24,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4 2025-08-31T10:08:24,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4 2025-08-31T10:08:24,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1 2025-08-31T10:08:24,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1 2025-08-31T10:08:24,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts 2025-08-31T10:08:24,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts 2025-08-31T10:08:24,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01 2025-08-31T10:08:24,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01 2025-08-31T10:08:24,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2 2025-08-31T10:08:24,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2 2025-08-31T10:08:24,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl- 2025-08-31T10:08:24,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl- 2025-08-31T10:08:24,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05 2025-08-31T10:08:24,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05 2025-08-31T10:08:24,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H 2025-08-31T10:08:24,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H 2025-08-31T10:08:24,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19 2025-08-31T10:08:24,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19 2025-08-31T10:08:24,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh 2025-08-31T10:08:24,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh 2025-08-31T10:08:24,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2 2025-08-31T10:08:24,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2 2025-08-31T10:08:24,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3 2025-08-31T10:08:24,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3 2025-08-31T10:08:24,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6 2025-08-31T10:08:24,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6 2025-08-31T10:08:24,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co 2025-08-31T10:08:24,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co 2025-08-31T10:08:24,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS 2025-08-31T10:08:24,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS 2025-08-31T10:08:24,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04 2025-08-31T10:08:24,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04 2025-08-31T10:08:24,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts 2025-08-31T10:08:24,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts 2025-08-31T10:08:24,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl 2025-08-31T10:08:24,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl 2025-08-31T10:08:24,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH 2025-08-31T10:08:24,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH 2025-08-31T10:08:24,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14 2025-08-31T10:08:24,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14 2025-08-31T10:08:24,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10 2025-08-31T10:08:24,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10 2025-08-31T10:08:24,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2 2025-08-31T10:08:24,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2 2025-08-31T10:08:24,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h 2025-08-31T10:08:24,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h 2025-08-31T10:08:24,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02 2025-08-31T10:08:24,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02 2025-08-31T10:08:24,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts 2025-08-31T10:08:24,795 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts 2025-08-31T10:08:24,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts 2025-08-31T10:08:24,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts 2025-08-31T10:08:24,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o 2025-08-31T10:08:24,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o 2025-08-31T10:08:24,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16 2025-08-31T10:08:24,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16 2025-08-31T10:08:24,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots 2025-08-31T10:08:24,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots 2025-08-31T10:08:24,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp 2025-08-31T10:08:24,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp 2025-08-31T10:08:24,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts 2025-08-31T10:08:24,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts 2025-08-31T10:08:24,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09 2025-08-31T10:08:24,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09 2025-08-31T10:08:24,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts 2025-08-31T10:08:24,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts 2025-08-31T10:08:24,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn 2025-08-31T10:08:24,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn 2025-08-31T10:08:24,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2 2025-08-31T10:08:24,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2 2025-08-31T10:08:24,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f 2025-08-31T10:08:24,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f 2025-08-31T10:08:24,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5 2025-08-31T10:08:24,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5 2025-08-31T10:08:24,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts 2025-08-31T10:08:24,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts 2025-08-31T10:08:24,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl 2025-08-31T10:08:24,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl 2025-08-31T10:08:24,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3 2025-08-31T10:08:24,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3 2025-08-31T10:08:24,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18 2025-08-31T10:08:24,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18 2025-08-31T10:08:24,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl 2025-08-31T10:08:24,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl 2025-08-31T10:08:24,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O 2025-08-31T10:08:24,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O 2025-08-31T10:08:24,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2 2025-08-31T10:08:24,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2 2025-08-31T10:08:24,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4 2025-08-31T10:08:24,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4 2025-08-31T10:08:24,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12 2025-08-31T10:08:24,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12 2025-08-31T10:08:24,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3 2025-08-31T10:08:24,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3 2025-08-31T10:08:24,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3 2025-08-31T10:08:24,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3 2025-08-31T10:08:24,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13 2025-08-31T10:08:24,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13 2025-08-31T10:08:24,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10 2025-08-31T10:08:24,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10 2025-08-31T10:08:24,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6 2025-08-31T10:08:24,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6 2025-08-31T10:08:24,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14 2025-08-31T10:08:24,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14 2025-08-31T10:08:24,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2 2025-08-31T10:08:24,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2 2025-08-31T10:08:24,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7 2025-08-31T10:08:24,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7 2025-08-31T10:08:24,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5 2025-08-31T10:08:24,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5 2025-08-31T10:08:24,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2 2025-08-31T10:08:24,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2 2025-08-31T10:08:24,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11 2025-08-31T10:08:24,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11 2025-08-31T10:08:24,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1 2025-08-31T10:08:24,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1 2025-08-31T10:08:25,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8 2025-08-31T10:08:25,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8 2025-08-31T10:08:25,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4 2025-08-31T10:08:25,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4 2025-08-31T10:08:25,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1 2025-08-31T10:08:25,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1 2025-08-31T10:08:25,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15 2025-08-31T10:08:25,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15 2025-08-31T10:08:25,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9 2025-08-31T10:08:25,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9 2025-08-31T10:08:25,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene 2025-08-31T10:08:25,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene 2025-08-31T10:08:25,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r 2025-08-31T10:08:25,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r 2025-08-31T10:08:25,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2 2025-08-31T10:08:25,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2 2025-08-31T10:08:25,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7 2025-08-31T10:08:25,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7 2025-08-31T10:08:25,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts 2025-08-31T10:08:25,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts 2025-08-31T10:08:25,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a 2025-08-31T10:08:25,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a 2025-08-31T10:08:25,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts 2025-08-31T10:08:25,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts 2025-08-31T10:08:25,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7 2025-08-31T10:08:25,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7 2025-08-31T10:08:25,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane 2025-08-31T10:08:25,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane 2025-08-31T10:08:25,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5 2025-08-31T10:08:25,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5 2025-08-31T10:08:25,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene 2025-08-31T10:08:25,071 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene 2025-08-31T10:08:25,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3 2025-08-31T10:08:25,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3 2025-08-31T10:08:25,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11 2025-08-31T10:08:25,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11 2025-08-31T10:08:25,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a 2025-08-31T10:08:25,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a 2025-08-31T10:08:25,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a 2025-08-31T10:08:25,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a 2025-08-31T10:08:25,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5 2025-08-31T10:08:25,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5 2025-08-31T10:08:25,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r 2025-08-31T10:08:25,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r 2025-08-31T10:08:25,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r 2025-08-31T10:08:25,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r 2025-08-31T10:08:25,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6 2025-08-31T10:08:25,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6 2025-08-31T10:08:25,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2025-08-31T10:08:25,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2025-08-31T10:08:25,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1 2025-08-31T10:08:25,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1 2025-08-31T10:08:25,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10 2025-08-31T10:08:25,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10 2025-08-31T10:08:25,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9 2025-08-31T10:08:25,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9 2025-08-31T10:08:25,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene 2025-08-31T10:08:25,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene 2025-08-31T10:08:25,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a 2025-08-31T10:08:25,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a 2025-08-31T10:08:25,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a 2025-08-31T10:08:25,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a 2025-08-31T10:08:25,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts 2025-08-31T10:08:25,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts 2025-08-31T10:08:25,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2025-08-31T10:08:25,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2025-08-31T10:08:25,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6 2025-08-31T10:08:25,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6 2025-08-31T10:08:25,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene 2025-08-31T10:08:25,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene 2025-08-31T10:08:25,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2025-08-31T10:08:25,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2025-08-31T10:08:25,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2025-08-31T10:08:25,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2025-08-31T10:08:25,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a 2025-08-31T10:08:25,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a 2025-08-31T10:08:25,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2025-08-31T10:08:25,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2025-08-31T10:08:25,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4 2025-08-31T10:08:25,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4 2025-08-31T10:08:25,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a 2025-08-31T10:08:25,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a 2025-08-31T10:08:25,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene 2025-08-31T10:08:25,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene 2025-08-31T10:08:25,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1 2025-08-31T10:08:25,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1 2025-08-31T10:08:25,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r 2025-08-31T10:08:25,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r 2025-08-31T10:08:25,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8 2025-08-31T10:08:25,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8 2025-08-31T10:08:25,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts 2025-08-31T10:08:25,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts 2025-08-31T10:08:25,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts 2025-08-31T10:08:25,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts 2025-08-31T10:08:25,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r 2025-08-31T10:08:25,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r 2025-08-31T10:08:25,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r 2025-08-31T10:08:25,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r 2025-08-31T10:08:25,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts 2025-08-31T10:08:25,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts 2025-08-31T10:08:25,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4 2025-08-31T10:08:25,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4 2025-08-31T10:08:25,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9 2025-08-31T10:08:25,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9 2025-08-31T10:08:25,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3 2025-08-31T10:08:25,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3 2025-08-31T10:08:25,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r 2025-08-31T10:08:25,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r 2025-08-31T10:08:25,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts 2025-08-31T10:08:25,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts 2025-08-31T10:08:25,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene 2025-08-31T10:08:25,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene 2025-08-31T10:08:25,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene 2025-08-31T10:08:25,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene 2025-08-31T10:08:25,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts 2025-08-31T10:08:25,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts 2025-08-31T10:08:25,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8 2025-08-31T10:08:25,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8 2025-08-31T10:08:25,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a 2025-08-31T10:08:25,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a 2025-08-31T10:08:25,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4 2025-08-31T10:08:25,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4 2025-08-31T10:08:25,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2 2025-08-31T10:08:25,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2 2025-08-31T10:08:25,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts 2025-08-31T10:08:25,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts 2025-08-31T10:08:25,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene 2025-08-31T10:08:25,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene 2025-08-31T10:08:25,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a 2025-08-31T10:08:25,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a 2025-08-31T10:08:25,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r 2025-08-31T10:08:25,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r 2025-08-31T10:08:25,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f- 2025-08-31T10:08:25,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f- 2025-08-31T10:08:25,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S 2025-08-31T10:08:25,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S 2025-08-31T10:08:25,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08 2025-08-31T10:08:25,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08 2025-08-31T10:08:25,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts 2025-08-31T10:08:25,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts 2025-08-31T10:08:25,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh 2025-08-31T10:08:25,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh 2025-08-31T10:08:25,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc 2025-08-31T10:08:25,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc 2025-08-31T10:08:25,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7 2025-08-31T10:08:25,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7 2025-08-31T10:08:25,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06 2025-08-31T10:08:25,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06 2025-08-31T10:08:25,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O 2025-08-31T10:08:25,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O 2025-08-31T10:08:25,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07 2025-08-31T10:08:25,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07 2025-08-31T10:08:25,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts 2025-08-31T10:08:25,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts 2025-08-31T10:08:25,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21 2025-08-31T10:08:25,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21 2025-08-31T10:08:25,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf 2025-08-31T10:08:25,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf 2025-08-31T10:08:25,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts 2025-08-31T10:08:25,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts 2025-08-31T10:08:25,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22 2025-08-31T10:08:25,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22 2025-08-31T10:08:25,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13 2025-08-31T10:08:25,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13 2025-08-31T10:08:25,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts 2025-08-31T10:08:25,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts 2025-08-31T10:08:25,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5 2025-08-31T10:08:25,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5 2025-08-31T10:08:25,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1 2025-08-31T10:08:25,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1 2025-08-31T10:08:25,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2 2025-08-31T10:08:25,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2 2025-08-31T10:08:25,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12 2025-08-31T10:08:25,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12 2025-08-31T10:08:25,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh- 2025-08-31T10:08:25,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh- 2025-08-31T10:08:25,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco 2025-08-31T10:08:25,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco 2025-08-31T10:08:25,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf 2025-08-31T10:08:25,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf 2025-08-31T10:08:25,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2 2025-08-31T10:08:25,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2 2025-08-31T10:08:25,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4 2025-08-31T10:08:25,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4 2025-08-31T10:08:25,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts 2025-08-31T10:08:25,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts 2025-08-31T10:08:25,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2 2025-08-31T10:08:25,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2 2025-08-31T10:08:25,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp 2025-08-31T10:08:25,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp 2025-08-31T10:08:25,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH 2025-08-31T10:08:25,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH 2025-08-31T10:08:25,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f 2025-08-31T10:08:25,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f 2025-08-31T10:08:25,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts 2025-08-31T10:08:25,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts 2025-08-31T10:08:25,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2 2025-08-31T10:08:25,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2 2025-08-31T10:08:25,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11 2025-08-31T10:08:25,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11 2025-08-31T10:08:25,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03 2025-08-31T10:08:25,485 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03 2025-08-31T10:08:25,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20 2025-08-31T10:08:25,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20 2025-08-31T10:08:25,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17 2025-08-31T10:08:25,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17 2025-08-31T10:08:25,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15 2025-08-31T10:08:25,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15 2025-08-31T10:08:25,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3 2025-08-31T10:08:25,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3 2025-08-31T10:08:25,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts 2025-08-31T10:08:25,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts 2025-08-31T10:08:25,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts 2025-08-31T10:08:25,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts 2025-08-31T10:08:25,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8 2025-08-31T10:08:25,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8 2025-08-31T10:08:25,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4 2025-08-31T10:08:25,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4 2025-08-31T10:08:25,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1 2025-08-31T10:08:25,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1 2025-08-31T10:08:25,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts 2025-08-31T10:08:25,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts 2025-08-31T10:08:25,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01 2025-08-31T10:08:25,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01 2025-08-31T10:08:25,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2 2025-08-31T10:08:25,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2 2025-08-31T10:08:25,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl- 2025-08-31T10:08:25,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl- 2025-08-31T10:08:25,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05 2025-08-31T10:08:25,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05 2025-08-31T10:08:25,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H 2025-08-31T10:08:25,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H 2025-08-31T10:08:25,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19 2025-08-31T10:08:25,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19 2025-08-31T10:08:25,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh 2025-08-31T10:08:25,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh 2025-08-31T10:08:25,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2 2025-08-31T10:08:25,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2 2025-08-31T10:08:25,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3 2025-08-31T10:08:25,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3 2025-08-31T10:08:25,554 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6 2025-08-31T10:08:25,555 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6 2025-08-31T10:08:25,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co 2025-08-31T10:08:25,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co 2025-08-31T10:08:25,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS 2025-08-31T10:08:25,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS 2025-08-31T10:08:25,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04 2025-08-31T10:08:25,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04 2025-08-31T10:08:25,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts 2025-08-31T10:08:25,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts 2025-08-31T10:08:25,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl 2025-08-31T10:08:25,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl 2025-08-31T10:08:25,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH 2025-08-31T10:08:25,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH 2025-08-31T10:08:25,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14 2025-08-31T10:08:25,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14 2025-08-31T10:08:25,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10 2025-08-31T10:08:25,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10 2025-08-31T10:08:25,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2 2025-08-31T10:08:25,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2 2025-08-31T10:08:25,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h 2025-08-31T10:08:25,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h 2025-08-31T10:08:25,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02 2025-08-31T10:08:25,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02 2025-08-31T10:08:25,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts 2025-08-31T10:08:25,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts 2025-08-31T10:08:25,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts 2025-08-31T10:08:25,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts 2025-08-31T10:08:25,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o 2025-08-31T10:08:25,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o 2025-08-31T10:08:25,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16 2025-08-31T10:08:25,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16 2025-08-31T10:08:25,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots 2025-08-31T10:08:25,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots 2025-08-31T10:08:25,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp 2025-08-31T10:08:25,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp 2025-08-31T10:08:25,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts 2025-08-31T10:08:25,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts 2025-08-31T10:08:25,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09 2025-08-31T10:08:25,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09 2025-08-31T10:08:25,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts 2025-08-31T10:08:25,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts 2025-08-31T10:08:25,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn 2025-08-31T10:08:25,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn 2025-08-31T10:08:25,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2 2025-08-31T10:08:25,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2 2025-08-31T10:08:25,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f 2025-08-31T10:08:25,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f 2025-08-31T10:08:25,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5 2025-08-31T10:08:25,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5 2025-08-31T10:08:25,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts 2025-08-31T10:08:25,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts 2025-08-31T10:08:25,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl 2025-08-31T10:08:25,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl 2025-08-31T10:08:25,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3 2025-08-31T10:08:25,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3 2025-08-31T10:08:25,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18 2025-08-31T10:08:25,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18 2025-08-31T10:08:25,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl 2025-08-31T10:08:25,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl 2025-08-31T10:08:25,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O 2025-08-31T10:08:25,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O 2025-08-31T10:08:25,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2 2025-08-31T10:08:25,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2 2025-08-31T10:08:25,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab 2025-08-31T10:08:25,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab 2025-08-31T10:08:25,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII 2025-08-31T10:08:25,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII 2025-08-31T10:08:25,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444 2025-08-31T10:08:25,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444 2025-08-31T10:08:25,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII 2025-08-31T10:08:25,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII 2025-08-31T10:08:25,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691 2025-08-31T10:08:25,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691 2025-08-31T10:08:25,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114 2025-08-31T10:08:25,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114 2025-08-31T10:08:25,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR 2025-08-31T10:08:25,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR 2025-08-31T10:08:25,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b 2025-08-31T10:08:25,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b 2025-08-31T10:08:25,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470 2025-08-31T10:08:25,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470 2025-08-31T10:08:25,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412 2025-08-31T10:08:25,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412 2025-08-31T10:08:25,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR 2025-08-31T10:08:25,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR 2025-08-31T10:08:25,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99 2025-08-31T10:08:25,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99 2025-08-31T10:08:25,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357 2025-08-31T10:08:25,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357 2025-08-31T10:08:25,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300 2025-08-31T10:08:25,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300 2025-08-31T10:08:25,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366 2025-08-31T10:08:25,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366 2025-08-31T10:08:25,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215 2025-08-31T10:08:25,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215 2025-08-31T10:08:25,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b 2025-08-31T10:08:25,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b 2025-08-31T10:08:25,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL 2025-08-31T10:08:25,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL 2025-08-31T10:08:25,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224 2025-08-31T10:08:25,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224 2025-08-31T10:08:25,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab 2025-08-31T10:08:25,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab 2025-08-31T10:08:25,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL 2025-08-31T10:08:25,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL 2025-08-31T10:08:25,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl 2025-08-31T10:08:25,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl 2025-08-31T10:08:25,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI 2025-08-31T10:08:25,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI 2025-08-31T10:08:25,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA 2025-08-31T10:08:25,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA 2025-08-31T10:08:25,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA 2025-08-31T10:08:25,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA 2025-08-31T10:08:25,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA 2025-08-31T10:08:25,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA 2025-08-31T10:08:25,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2 2025-08-31T10:08:25,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2 2025-08-31T10:08:25,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr 2025-08-31T10:08:25,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr 2025-08-31T10:08:25,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS 2025-08-31T10:08:25,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS 2025-08-31T10:08:25,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI 2025-08-31T10:08:25,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI 2025-08-31T10:08:25,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB 2025-08-31T10:08:25,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB 2025-08-31T10:08:25,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B 2025-08-31T10:08:25,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B 2025-08-31T10:08:25,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB 2025-08-31T10:08:25,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB 2025-08-31T10:08:25,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA 2025-08-31T10:08:25,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA 2025-08-31T10:08:25,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB 2025-08-31T10:08:25,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB 2025-08-31T10:08:25,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA 2025-08-31T10:08:25,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA 2025-08-31T10:08:25,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB 2025-08-31T10:08:25,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB 2025-08-31T10:08:25,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3 2025-08-31T10:08:25,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3 2025-08-31T10:08:25,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB 2025-08-31T10:08:25,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB 2025-08-31T10:08:25,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB 2025-08-31T10:08:25,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB 2025-08-31T10:08:25,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB 2025-08-31T10:08:25,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB 2025-08-31T10:08:25,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH 2025-08-31T10:08:25,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH 2025-08-31T10:08:25,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe 2025-08-31T10:08:25,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe 2025-08-31T10:08:25,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH 2025-08-31T10:08:25,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH 2025-08-31T10:08:25,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA 2025-08-31T10:08:25,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA 2025-08-31T10:08:25,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr 2025-08-31T10:08:25,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr 2025-08-31T10:08:25,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr 2025-08-31T10:08:25,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr 2025-08-31T10:08:25,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A 2025-08-31T10:08:25,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A 2025-08-31T10:08:25,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr 2025-08-31T10:08:25,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr 2025-08-31T10:08:25,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2 2025-08-31T10:08:25,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2 2025-08-31T10:08:25,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B 2025-08-31T10:08:25,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B 2025-08-31T10:08:25,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3 2025-08-31T10:08:25,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3 2025-08-31T10:08:25,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH 2025-08-31T10:08:25,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH 2025-08-31T10:08:25,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS 2025-08-31T10:08:25,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS 2025-08-31T10:08:25,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl 2025-08-31T10:08:25,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl 2025-08-31T10:08:25,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB 2025-08-31T10:08:25,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB 2025-08-31T10:08:25,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH 2025-08-31T10:08:25,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH 2025-08-31T10:08:25,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3 2025-08-31T10:08:25,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3 2025-08-31T10:08:25,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe 2025-08-31T10:08:25,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe 2025-08-31T10:08:25,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr 2025-08-31T10:08:25,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr 2025-08-31T10:08:25,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A 2025-08-31T10:08:25,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A 2025-08-31T10:08:25,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr 2025-08-31T10:08:25,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr 2025-08-31T10:08:25,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB 2025-08-31T10:08:25,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB 2025-08-31T10:08:25,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI 2025-08-31T10:08:25,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI 2025-08-31T10:08:25,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB 2025-08-31T10:08:25,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB 2025-08-31T10:08:25,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB 2025-08-31T10:08:25,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB 2025-08-31T10:08:25,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI 2025-08-31T10:08:25,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI 2025-08-31T10:08:25,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH 2025-08-31T10:08:25,878 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH 2025-08-31T10:08:25,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA 2025-08-31T10:08:25,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA 2025-08-31T10:08:25,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB 2025-08-31T10:08:25,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB 2025-08-31T10:08:25,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH 2025-08-31T10:08:25,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH 2025-08-31T10:08:25,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB 2025-08-31T10:08:25,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB 2025-08-31T10:08:25,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS 2025-08-31T10:08:25,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS 2025-08-31T10:08:25,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3 2025-08-31T10:08:25,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3 2025-08-31T10:08:25,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI 2025-08-31T10:08:25,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI 2025-08-31T10:08:25,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA 2025-08-31T10:08:25,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA 2025-08-31T10:08:25,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH 2025-08-31T10:08:25,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH 2025-08-31T10:08:25,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA 2025-08-31T10:08:25,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA 2025-08-31T10:08:25,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS 2025-08-31T10:08:25,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS 2025-08-31T10:08:25,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe 2025-08-31T10:08:25,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe 2025-08-31T10:08:25,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB 2025-08-31T10:08:25,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB 2025-08-31T10:08:25,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB 2025-08-31T10:08:25,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB 2025-08-31T10:08:25,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB 2025-08-31T10:08:25,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB 2025-08-31T10:08:25,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3 2025-08-31T10:08:25,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3 2025-08-31T10:08:25,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH 2025-08-31T10:08:25,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH 2025-08-31T10:08:25,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI 2025-08-31T10:08:25,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI 2025-08-31T10:08:25,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH 2025-08-31T10:08:25,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH 2025-08-31T10:08:25,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl 2025-08-31T10:08:25,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl 2025-08-31T10:08:25,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr 2025-08-31T10:08:25,947 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr 2025-08-31T10:08:25,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH 2025-08-31T10:08:25,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH 2025-08-31T10:08:25,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB 2025-08-31T10:08:25,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB 2025-08-31T10:08:25,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A 2025-08-31T10:08:25,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A 2025-08-31T10:08:25,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB 2025-08-31T10:08:25,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB 2025-08-31T10:08:25,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA 2025-08-31T10:08:25,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA 2025-08-31T10:08:25,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B 2025-08-31T10:08:25,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B 2025-08-31T10:08:25,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS 2025-08-31T10:08:25,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS 2025-08-31T10:08:25,973 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr 2025-08-31T10:08:25,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr 2025-08-31T10:08:25,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB 2025-08-31T10:08:25,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB 2025-08-31T10:08:25,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2 2025-08-31T10:08:25,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2 2025-08-31T10:08:25,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2 2025-08-31T10:08:25,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2 2025-08-31T10:08:25,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS 2025-08-31T10:08:25,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS 2025-08-31T10:08:25,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl 2025-08-31T10:08:25,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl 2025-08-31T10:08:25,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr 2025-08-31T10:08:25,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr 2025-08-31T10:08:25,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS 2025-08-31T10:08:25,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS 2025-08-31T10:08:25,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB 2025-08-31T10:08:25,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB 2025-08-31T10:08:26,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB 2025-08-31T10:08:26,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB 2025-08-31T10:08:26,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB 2025-08-31T10:08:26,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB 2025-08-31T10:08:26,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3 2025-08-31T10:08:26,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3 2025-08-31T10:08:26,010 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr 2025-08-31T10:08:26,011 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr 2025-08-31T10:08:26,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI 2025-08-31T10:08:26,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI 2025-08-31T10:08:26,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB 2025-08-31T10:08:26,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB 2025-08-31T10:08:26,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe 2025-08-31T10:08:26,021 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe 2025-08-31T10:08:26,023 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3 2025-08-31T10:08:26,024 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3 2025-08-31T10:08:26,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI 2025-08-31T10:08:26,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI 2025-08-31T10:08:26,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS 2025-08-31T10:08:26,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS 2025-08-31T10:08:26,033 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA 2025-08-31T10:08:26,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA 2025-08-31T10:08:26,036 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI 2025-08-31T10:08:26,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI 2025-08-31T10:08:26,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI 2025-08-31T10:08:26,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI 2025-08-31T10:08:26,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB 2025-08-31T10:08:26,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB 2025-08-31T10:08:26,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3 2025-08-31T10:08:26,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3 2025-08-31T10:08:26,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr 2025-08-31T10:08:26,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr 2025-08-31T10:08:26,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr 2025-08-31T10:08:26,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr 2025-08-31T10:08:26,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB 2025-08-31T10:08:26,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB 2025-08-31T10:08:26,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr 2025-08-31T10:08:26,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr 2025-08-31T10:08:26,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH 2025-08-31T10:08:26,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH 2025-08-31T10:08:26,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH 2025-08-31T10:08:26,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH 2025-08-31T10:08:26,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G 2025-08-31T10:08:26,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G 2025-08-31T10:08:26,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp 2025-08-31T10:08:26,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp 2025-08-31T10:08:26,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp 2025-08-31T10:08:26,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp 2025-08-31T10:08:26,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp 2025-08-31T10:08:26,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp 2025-08-31T10:08:26,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol 2025-08-31T10:08:26,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol 2025-08-31T10:08:26,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6 2025-08-31T10:08:26,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6 2025-08-31T10:08:26,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp 2025-08-31T10:08:26,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp 2025-08-31T10:08:26,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A 2025-08-31T10:08:26,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A 2025-08-31T10:08:26,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp 2025-08-31T10:08:26,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp 2025-08-31T10:08:26,098 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol 2025-08-31T10:08:26,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol 2025-08-31T10:08:26,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o 2025-08-31T10:08:26,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o 2025-08-31T10:08:26,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp 2025-08-31T10:08:26,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp 2025-08-31T10:08:26,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh 2025-08-31T10:08:26,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh 2025-08-31T10:08:26,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p 2025-08-31T10:08:26,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p 2025-08-31T10:08:26,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3 2025-08-31T10:08:26,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3 2025-08-31T10:08:26,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p 2025-08-31T10:08:26,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p 2025-08-31T10:08:26,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p 2025-08-31T10:08:26,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p 2025-08-31T10:08:26,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4 2025-08-31T10:08:26,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4 2025-08-31T10:08:26,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap 2025-08-31T10:08:26,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap 2025-08-31T10:08:26,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4 2025-08-31T10:08:26,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4 2025-08-31T10:08:26,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2 2025-08-31T10:08:26,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2 2025-08-31T10:08:26,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8 2025-08-31T10:08:26,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8 2025-08-31T10:08:26,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p 2025-08-31T10:08:26,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p 2025-08-31T10:08:26,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3 2025-08-31T10:08:26,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3 2025-08-31T10:08:26,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6 2025-08-31T10:08:26,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6 2025-08-31T10:08:26,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p 2025-08-31T10:08:26,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p 2025-08-31T10:08:26,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly 2025-08-31T10:08:26,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly 2025-08-31T10:08:26,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p 2025-08-31T10:08:26,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p 2025-08-31T10:08:26,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp 2025-08-31T10:08:26,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp 2025-08-31T10:08:26,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p 2025-08-31T10:08:26,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p 2025-08-31T10:08:26,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p 2025-08-31T10:08:26,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p 2025-08-31T10:08:26,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass 2025-08-31T10:08:26,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass 2025-08-31T10:08:26,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s 2025-08-31T10:08:26,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s 2025-08-31T10:08:26,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol 2025-08-31T10:08:26,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol 2025-08-31T10:08:26,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T 2025-08-31T10:08:26,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T 2025-08-31T10:08:26,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp 2025-08-31T10:08:26,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp 2025-08-31T10:08:26,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys 2025-08-31T10:08:26,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys 2025-08-31T10:08:26,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op 2025-08-31T10:08:26,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op 2025-08-31T10:08:26,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp 2025-08-31T10:08:26,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp 2025-08-31T10:08:26,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp 2025-08-31T10:08:26,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp 2025-08-31T10:08:26,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp 2025-08-31T10:08:26,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp 2025-08-31T10:08:26,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2 2025-08-31T10:08:26,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2 2025-08-31T10:08:26,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p 2025-08-31T10:08:26,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p 2025-08-31T10:08:26,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C 2025-08-31T10:08:26,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C 2025-08-31T10:08:26,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp 2025-08-31T10:08:26,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp 2025-08-31T10:08:26,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p 2025-08-31T10:08:26,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p 2025-08-31T10:08:26,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s 2025-08-31T10:08:26,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s 2025-08-31T10:08:26,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp 2025-08-31T10:08:26,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp 2025-08-31T10:08:26,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6 2025-08-31T10:08:26,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6 2025-08-31T10:08:26,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p 2025-08-31T10:08:26,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p 2025-08-31T10:08:26,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl 2025-08-31T10:08:26,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl 2025-08-31T10:08:26,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2 2025-08-31T10:08:26,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2 2025-08-31T10:08:26,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B 2025-08-31T10:08:26,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B 2025-08-31T10:08:26,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02 2025-08-31T10:08:26,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02 2025-08-31T10:08:26,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B 2025-08-31T10:08:26,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B 2025-08-31T10:08:26,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A 2025-08-31T10:08:26,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A 2025-08-31T10:08:26,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54 2025-08-31T10:08:26,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54 2025-08-31T10:08:26,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B 2025-08-31T10:08:26,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B 2025-08-31T10:08:26,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A 2025-08-31T10:08:26,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A 2025-08-31T10:08:26,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B 2025-08-31T10:08:26,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B 2025-08-31T10:08:26,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A 2025-08-31T10:08:26,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A 2025-08-31T10:08:26,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A 2025-08-31T10:08:26,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A 2025-08-31T10:08:26,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23 2025-08-31T10:08:26,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23 2025-08-31T10:08:26,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A 2025-08-31T10:08:26,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A 2025-08-31T10:08:26,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08 2025-08-31T10:08:26,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08 2025-08-31T10:08:26,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A 2025-08-31T10:08:26,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A 2025-08-31T10:08:26,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B 2025-08-31T10:08:26,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B 2025-08-31T10:08:26,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B 2025-08-31T10:08:26,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B 2025-08-31T10:08:26,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B 2025-08-31T10:08:26,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B 2025-08-31T10:08:26,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B 2025-08-31T10:08:26,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B 2025-08-31T10:08:26,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A 2025-08-31T10:08:26,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A 2025-08-31T10:08:26,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A 2025-08-31T10:08:26,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A 2025-08-31T10:08:26,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A 2025-08-31T10:08:26,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A 2025-08-31T10:08:26,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B 2025-08-31T10:08:26,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B 2025-08-31T10:08:26,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30 2025-08-31T10:08:26,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30 2025-08-31T10:08:26,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64 2025-08-31T10:08:26,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64 2025-08-31T10:08:26,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57 2025-08-31T10:08:26,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57 2025-08-31T10:08:26,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B 2025-08-31T10:08:26,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B 2025-08-31T10:08:26,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A 2025-08-31T10:08:26,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A 2025-08-31T10:08:26,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A 2025-08-31T10:08:26,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A 2025-08-31T10:08:26,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A 2025-08-31T10:08:26,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A 2025-08-31T10:08:26,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B 2025-08-31T10:08:26,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B 2025-08-31T10:08:26,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B 2025-08-31T10:08:26,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B 2025-08-31T10:08:26,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56 2025-08-31T10:08:26,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56 2025-08-31T10:08:26,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B 2025-08-31T10:08:26,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B 2025-08-31T10:08:26,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B 2025-08-31T10:08:26,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B 2025-08-31T10:08:26,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B 2025-08-31T10:08:26,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B 2025-08-31T10:08:26,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60 2025-08-31T10:08:26,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60 2025-08-31T10:08:26,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B 2025-08-31T10:08:26,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B 2025-08-31T10:08:26,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61 2025-08-31T10:08:26,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61 2025-08-31T10:08:26,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29 2025-08-31T10:08:26,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29 2025-08-31T10:08:26,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06 2025-08-31T10:08:26,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06 2025-08-31T10:08:26,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A 2025-08-31T10:08:26,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A 2025-08-31T10:08:26,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A 2025-08-31T10:08:26,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A 2025-08-31T10:08:26,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42 2025-08-31T10:08:26,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42 2025-08-31T10:08:26,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B 2025-08-31T10:08:26,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B 2025-08-31T10:08:26,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A 2025-08-31T10:08:26,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A 2025-08-31T10:08:26,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10 2025-08-31T10:08:26,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10 2025-08-31T10:08:26,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A 2025-08-31T10:08:26,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A 2025-08-31T10:08:26,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34 2025-08-31T10:08:26,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34 2025-08-31T10:08:26,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A 2025-08-31T10:08:26,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A 2025-08-31T10:08:26,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A 2025-08-31T10:08:26,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A 2025-08-31T10:08:26,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B 2025-08-31T10:08:26,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B 2025-08-31T10:08:26,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A 2025-08-31T10:08:26,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A 2025-08-31T10:08:26,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A 2025-08-31T10:08:26,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A 2025-08-31T10:08:26,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22 2025-08-31T10:08:26,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22 2025-08-31T10:08:26,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A 2025-08-31T10:08:26,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A 2025-08-31T10:08:26,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18 2025-08-31T10:08:26,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18 2025-08-31T10:08:26,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16 2025-08-31T10:08:26,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16 2025-08-31T10:08:26,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B 2025-08-31T10:08:26,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B 2025-08-31T10:08:26,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A 2025-08-31T10:08:26,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A 2025-08-31T10:08:26,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52 2025-08-31T10:08:26,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52 2025-08-31T10:08:26,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04 2025-08-31T10:08:26,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04 2025-08-31T10:08:26,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59 2025-08-31T10:08:26,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59 2025-08-31T10:08:26,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37 2025-08-31T10:08:26,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37 2025-08-31T10:08:26,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B 2025-08-31T10:08:26,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B 2025-08-31T10:08:26,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B 2025-08-31T10:08:26,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B 2025-08-31T10:08:26,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40 2025-08-31T10:08:26,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40 2025-08-31T10:08:26,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B 2025-08-31T10:08:26,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B 2025-08-31T10:08:26,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09 2025-08-31T10:08:26,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09 2025-08-31T10:08:26,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B 2025-08-31T10:08:26,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B 2025-08-31T10:08:26,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A 2025-08-31T10:08:26,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A 2025-08-31T10:08:26,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28 2025-08-31T10:08:26,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28 2025-08-31T10:08:26,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36 2025-08-31T10:08:26,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36 2025-08-31T10:08:26,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A 2025-08-31T10:08:26,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A 2025-08-31T10:08:26,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47 2025-08-31T10:08:26,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47 2025-08-31T10:08:26,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A 2025-08-31T10:08:26,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A 2025-08-31T10:08:26,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A 2025-08-31T10:08:26,504 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A 2025-08-31T10:08:26,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B 2025-08-31T10:08:26,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B 2025-08-31T10:08:26,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B 2025-08-31T10:08:26,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B 2025-08-31T10:08:26,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A 2025-08-31T10:08:26,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A 2025-08-31T10:08:26,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B 2025-08-31T10:08:26,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B 2025-08-31T10:08:26,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B 2025-08-31T10:08:26,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B 2025-08-31T10:08:26,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21 2025-08-31T10:08:26,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21 2025-08-31T10:08:26,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A 2025-08-31T10:08:26,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A 2025-08-31T10:08:26,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65 2025-08-31T10:08:26,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65 2025-08-31T10:08:26,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66 2025-08-31T10:08:26,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66 2025-08-31T10:08:26,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B 2025-08-31T10:08:26,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B 2025-08-31T10:08:26,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B 2025-08-31T10:08:26,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B 2025-08-31T10:08:26,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13 2025-08-31T10:08:26,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13 2025-08-31T10:08:26,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B 2025-08-31T10:08:26,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B 2025-08-31T10:08:26,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B 2025-08-31T10:08:26,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B 2025-08-31T10:08:26,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58 2025-08-31T10:08:26,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58 2025-08-31T10:08:26,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25 2025-08-31T10:08:26,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25 2025-08-31T10:08:26,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B 2025-08-31T10:08:26,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B 2025-08-31T10:08:26,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32 2025-08-31T10:08:26,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32 2025-08-31T10:08:26,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A 2025-08-31T10:08:26,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A 2025-08-31T10:08:26,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A 2025-08-31T10:08:26,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A 2025-08-31T10:08:26,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A 2025-08-31T10:08:26,574 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A 2025-08-31T10:08:26,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A 2025-08-31T10:08:26,578 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A 2025-08-31T10:08:26,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B 2025-08-31T10:08:26,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B 2025-08-31T10:08:26,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A 2025-08-31T10:08:26,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A 2025-08-31T10:08:26,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B 2025-08-31T10:08:26,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B 2025-08-31T10:08:26,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41 2025-08-31T10:08:26,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41 2025-08-31T10:08:26,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14 2025-08-31T10:08:26,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14 2025-08-31T10:08:26,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A 2025-08-31T10:08:26,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A 2025-08-31T10:08:26,600 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A 2025-08-31T10:08:26,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A 2025-08-31T10:08:26,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A 2025-08-31T10:08:26,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A 2025-08-31T10:08:26,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A 2025-08-31T10:08:26,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A 2025-08-31T10:08:26,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A 2025-08-31T10:08:26,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A 2025-08-31T10:08:26,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15 2025-08-31T10:08:26,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15 2025-08-31T10:08:26,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A 2025-08-31T10:08:26,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A 2025-08-31T10:08:26,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B 2025-08-31T10:08:26,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B 2025-08-31T10:08:26,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A 2025-08-31T10:08:26,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A 2025-08-31T10:08:26,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38 2025-08-31T10:08:26,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38 2025-08-31T10:08:26,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24 2025-08-31T10:08:26,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24 2025-08-31T10:08:26,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B 2025-08-31T10:08:26,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B 2025-08-31T10:08:26,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B 2025-08-31T10:08:26,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B 2025-08-31T10:08:26,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B 2025-08-31T10:08:26,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B 2025-08-31T10:08:26,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A 2025-08-31T10:08:26,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A 2025-08-31T10:08:26,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B 2025-08-31T10:08:26,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B 2025-08-31T10:08:26,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19 2025-08-31T10:08:26,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19 2025-08-31T10:08:26,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01 2025-08-31T10:08:26,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01 2025-08-31T10:08:26,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B 2025-08-31T10:08:26,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B 2025-08-31T10:08:26,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A 2025-08-31T10:08:26,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A 2025-08-31T10:08:26,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A 2025-08-31T10:08:26,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A 2025-08-31T10:08:26,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31 2025-08-31T10:08:26,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31 2025-08-31T10:08:26,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45 2025-08-31T10:08:26,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45 2025-08-31T10:08:26,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B 2025-08-31T10:08:26,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B 2025-08-31T10:08:26,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50 2025-08-31T10:08:26,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50 2025-08-31T10:08:26,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B 2025-08-31T10:08:26,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B 2025-08-31T10:08:26,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26 2025-08-31T10:08:26,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26 2025-08-31T10:08:26,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A 2025-08-31T10:08:26,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A 2025-08-31T10:08:26,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B 2025-08-31T10:08:26,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B 2025-08-31T10:08:26,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B 2025-08-31T10:08:26,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B 2025-08-31T10:08:26,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46 2025-08-31T10:08:26,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46 2025-08-31T10:08:26,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A 2025-08-31T10:08:26,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A 2025-08-31T10:08:26,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03 2025-08-31T10:08:26,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03 2025-08-31T10:08:26,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B 2025-08-31T10:08:26,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B 2025-08-31T10:08:26,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B 2025-08-31T10:08:26,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B 2025-08-31T10:08:26,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20 2025-08-31T10:08:26,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20 2025-08-31T10:08:26,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B 2025-08-31T10:08:26,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B 2025-08-31T10:08:26,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B 2025-08-31T10:08:26,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B 2025-08-31T10:08:26,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B 2025-08-31T10:08:26,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B 2025-08-31T10:08:26,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43 2025-08-31T10:08:26,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43 2025-08-31T10:08:26,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B 2025-08-31T10:08:26,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B 2025-08-31T10:08:26,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44 2025-08-31T10:08:26,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44 2025-08-31T10:08:26,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A 2025-08-31T10:08:26,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A 2025-08-31T10:08:26,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A 2025-08-31T10:08:26,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A 2025-08-31T10:08:26,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A 2025-08-31T10:08:26,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A 2025-08-31T10:08:26,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A 2025-08-31T10:08:26,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A 2025-08-31T10:08:26,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A 2025-08-31T10:08:26,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A 2025-08-31T10:08:26,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A 2025-08-31T10:08:26,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A 2025-08-31T10:08:26,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A 2025-08-31T10:08:26,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A 2025-08-31T10:08:26,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B 2025-08-31T10:08:26,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B 2025-08-31T10:08:26,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B 2025-08-31T10:08:26,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B 2025-08-31T10:08:26,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A 2025-08-31T10:08:26,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A 2025-08-31T10:08:26,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B 2025-08-31T10:08:26,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B 2025-08-31T10:08:26,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A 2025-08-31T10:08:26,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A 2025-08-31T10:08:26,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B 2025-08-31T10:08:26,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B 2025-08-31T10:08:26,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33 2025-08-31T10:08:26,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33 2025-08-31T10:08:26,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12 2025-08-31T10:08:26,792 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12 2025-08-31T10:08:26,794 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53 2025-08-31T10:08:26,795 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53 2025-08-31T10:08:26,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A 2025-08-31T10:08:26,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A 2025-08-31T10:08:26,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17 2025-08-31T10:08:26,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17 2025-08-31T10:08:26,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55 2025-08-31T10:08:26,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55 2025-08-31T10:08:26,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B 2025-08-31T10:08:26,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B 2025-08-31T10:08:26,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35 2025-08-31T10:08:26,812 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35 2025-08-31T10:08:26,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A 2025-08-31T10:08:26,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A 2025-08-31T10:08:26,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B 2025-08-31T10:08:26,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B 2025-08-31T10:08:26,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B 2025-08-31T10:08:26,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B 2025-08-31T10:08:26,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A 2025-08-31T10:08:26,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A 2025-08-31T10:08:26,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B 2025-08-31T10:08:26,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B 2025-08-31T10:08:26,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51 2025-08-31T10:08:26,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51 2025-08-31T10:08:26,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A 2025-08-31T10:08:26,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A 2025-08-31T10:08:26,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B 2025-08-31T10:08:26,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B 2025-08-31T10:08:26,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A 2025-08-31T10:08:26,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A 2025-08-31T10:08:26,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39 2025-08-31T10:08:26,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39 2025-08-31T10:08:26,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49 2025-08-31T10:08:26,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49 2025-08-31T10:08:26,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A 2025-08-31T10:08:26,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A 2025-08-31T10:08:26,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A 2025-08-31T10:08:26,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A 2025-08-31T10:08:26,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05 2025-08-31T10:08:26,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05 2025-08-31T10:08:26,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B 2025-08-31T10:08:26,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B 2025-08-31T10:08:26,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B 2025-08-31T10:08:26,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B 2025-08-31T10:08:26,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B 2025-08-31T10:08:26,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B 2025-08-31T10:08:26,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B 2025-08-31T10:08:26,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B 2025-08-31T10:08:26,877 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48 2025-08-31T10:08:26,878 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48 2025-08-31T10:08:26,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63 2025-08-31T10:08:26,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63 2025-08-31T10:08:26,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B 2025-08-31T10:08:26,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B 2025-08-31T10:08:26,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07 2025-08-31T10:08:26,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07 2025-08-31T10:08:26,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B 2025-08-31T10:08:26,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B 2025-08-31T10:08:26,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62 2025-08-31T10:08:26,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62 2025-08-31T10:08:26,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A 2025-08-31T10:08:26,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A 2025-08-31T10:08:26,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B 2025-08-31T10:08:26,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B 2025-08-31T10:08:26,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A 2025-08-31T10:08:26,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A 2025-08-31T10:08:26,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A 2025-08-31T10:08:26,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A 2025-08-31T10:08:26,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A 2025-08-31T10:08:26,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A 2025-08-31T10:08:26,914 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11 2025-08-31T10:08:26,915 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11 2025-08-31T10:08:26,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A 2025-08-31T10:08:26,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A 2025-08-31T10:08:26,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27 2025-08-31T10:08:26,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27 2025-08-31T10:08:26,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip 2025-08-31T10:08:26,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip 2025-08-31T10:08:26,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add 2025-08-31T10:08:26,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add 2025-08-31T10:08:26,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl 2025-08-31T10:08:26,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl 2025-08-31T10:08:26,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb 2025-08-31T10:08:26,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb 2025-08-31T10:08:26,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2 2025-08-31T10:08:26,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2 2025-08-31T10:08:26,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2 2025-08-31T10:08:26,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2 2025-08-31T10:08:26,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8 2025-08-31T10:08:26,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8 2025-08-31T10:08:26,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35 2025-08-31T10:08:26,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35 2025-08-31T10:08:26,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene 2025-08-31T10:08:26,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene 2025-08-31T10:08:26,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be 2025-08-31T10:08:26,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be 2025-08-31T10:08:26,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1 2025-08-31T10:08:26,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1 2025-08-31T10:08:26,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen 2025-08-31T10:08:26,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen 2025-08-31T10:08:26,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3 2025-08-31T10:08:26,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3 2025-08-31T10:08:26,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6 2025-08-31T10:08:26,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6 2025-08-31T10:08:26,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2 2025-08-31T10:08:26,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2 2025-08-31T10:08:26,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4 2025-08-31T10:08:26,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4 2025-08-31T10:08:26,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4 2025-08-31T10:08:26,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4 2025-08-31T10:08:26,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2 2025-08-31T10:08:26,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2 2025-08-31T10:08:26,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6 2025-08-31T10:08:26,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6 2025-08-31T10:08:26,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35 2025-08-31T10:08:26,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35 2025-08-31T10:08:26,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen 2025-08-31T10:08:26,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen 2025-08-31T10:08:27,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2 2025-08-31T10:08:27,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2 2025-08-31T10:08:27,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne 2025-08-31T10:08:27,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne 2025-08-31T10:08:27,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36 2025-08-31T10:08:27,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36 2025-08-31T10:08:27,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36 2025-08-31T10:08:27,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36 2025-08-31T10:08:27,016 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add 2025-08-31T10:08:27,017 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add 2025-08-31T10:08:27,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage 2025-08-31T10:08:27,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage 2025-08-31T10:08:27,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1 2025-08-31T10:08:27,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1 2025-08-31T10:08:27,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL 2025-08-31T10:08:27,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL 2025-08-31T10:08:27,029 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41 2025-08-31T10:08:27,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41 2025-08-31T10:08:27,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3 2025-08-31T10:08:27,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3 2025-08-31T10:08:27,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6 2025-08-31T10:08:27,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6 2025-08-31T10:08:27,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2 2025-08-31T10:08:27,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2 2025-08-31T10:08:27,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6 2025-08-31T10:08:27,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6 2025-08-31T10:08:27,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6 2025-08-31T10:08:27,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6 2025-08-31T10:08:27,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3 2025-08-31T10:08:27,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3 2025-08-31T10:08:27,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6 2025-08-31T10:08:27,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6 2025-08-31T10:08:27,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4 2025-08-31T10:08:27,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4 2025-08-31T10:08:27,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5 2025-08-31T10:08:27,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5 2025-08-31T10:08:27,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3 2025-08-31T10:08:27,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3 2025-08-31T10:08:27,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3 2025-08-31T10:08:27,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3 2025-08-31T10:08:27,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137 2025-08-31T10:08:27,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137 2025-08-31T10:08:27,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+ 2025-08-31T10:08:27,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+ 2025-08-31T10:08:27,098 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+ 2025-08-31T10:08:27,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+ 2025-08-31T10:08:27,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74 2025-08-31T10:08:27,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74 2025-08-31T10:08:27,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71 2025-08-31T10:08:27,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71 2025-08-31T10:08:27,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79 2025-08-31T10:08:27,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79 2025-08-31T10:08:27,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80 2025-08-31T10:08:27,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80 2025-08-31T10:08:27,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p 2025-08-31T10:08:27,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p 2025-08-31T10:08:27,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8 2025-08-31T10:08:27,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8 2025-08-31T10:08:27,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76 2025-08-31T10:08:27,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76 2025-08-31T10:08:27,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30 2025-08-31T10:08:27,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30 2025-08-31T10:08:27,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al 2025-08-31T10:08:27,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al 2025-08-31T10:08:27,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+ 2025-08-31T10:08:27,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+ 2025-08-31T10:08:27,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c 2025-08-31T10:08:27,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c 2025-08-31T10:08:27,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be 2025-08-31T10:08:27,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be 2025-08-31T10:08:27,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+ 2025-08-31T10:08:27,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+ 2025-08-31T10:08:27,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n 2025-08-31T10:08:27,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n 2025-08-31T10:08:27,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+ 2025-08-31T10:08:27,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+ 2025-08-31T10:08:27,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64 2025-08-31T10:08:27,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64 2025-08-31T10:08:27,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34 2025-08-31T10:08:27,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34 2025-08-31T10:08:27,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s 2025-08-31T10:08:27,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s 2025-08-31T10:08:27,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+ 2025-08-31T10:08:27,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+ 2025-08-31T10:08:27,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75 2025-08-31T10:08:27,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75 2025-08-31T10:08:27,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59 2025-08-31T10:08:27,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59 2025-08-31T10:08:27,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73 2025-08-31T10:08:27,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73 2025-08-31T10:08:27,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22 2025-08-31T10:08:27,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22 2025-08-31T10:08:27,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18 2025-08-31T10:08:27,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18 2025-08-31T10:08:27,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37 2025-08-31T10:08:27,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37 2025-08-31T10:08:27,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+ 2025-08-31T10:08:27,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+ 2025-08-31T10:08:27,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72 2025-08-31T10:08:27,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72 2025-08-31T10:08:27,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67 2025-08-31T10:08:27,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67 2025-08-31T10:08:27,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68 2025-08-31T10:08:27,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68 2025-08-31T10:08:27,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+ 2025-08-31T10:08:27,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+ 2025-08-31T10:08:27,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o 2025-08-31T10:08:27,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o 2025-08-31T10:08:27,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13 2025-08-31T10:08:27,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13 2025-08-31T10:08:27,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25 2025-08-31T10:08:27,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25 2025-08-31T10:08:27,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77 2025-08-31T10:08:27,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77 2025-08-31T10:08:27,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14 2025-08-31T10:08:27,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14 2025-08-31T10:08:27,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg 2025-08-31T10:08:27,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg 2025-08-31T10:08:27,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19 2025-08-31T10:08:27,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19 2025-08-31T10:08:27,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+ 2025-08-31T10:08:27,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+ 2025-08-31T10:08:27,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60 2025-08-31T10:08:27,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60 2025-08-31T10:08:27,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+ 2025-08-31T10:08:27,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+ 2025-08-31T10:08:27,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45 2025-08-31T10:08:27,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45 2025-08-31T10:08:27,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26 2025-08-31T10:08:27,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26 2025-08-31T10:08:27,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl 2025-08-31T10:08:27,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl 2025-08-31T10:08:27,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78 2025-08-31T10:08:27,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78 2025-08-31T10:08:27,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b 2025-08-31T10:08:27,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b 2025-08-31T10:08:27,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li 2025-08-31T10:08:27,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li 2025-08-31T10:08:27,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20 2025-08-31T10:08:27,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20 2025-08-31T10:08:27,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66 2025-08-31T10:08:27,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66 2025-08-31T10:08:27,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43 2025-08-31T10:08:27,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43 2025-08-31T10:08:27,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44 2025-08-31T10:08:27,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44 2025-08-31T10:08:27,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62 2025-08-31T10:08:27,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62 2025-08-31T10:08:27,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h 2025-08-31T10:08:27,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h 2025-08-31T10:08:27,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+ 2025-08-31T10:08:27,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+ 2025-08-31T10:08:27,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na 2025-08-31T10:08:27,300 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na 2025-08-31T10:08:27,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65 2025-08-31T10:08:27,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65 2025-08-31T10:08:27,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+ 2025-08-31T10:08:27,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+ 2025-08-31T10:08:27,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61 2025-08-31T10:08:27,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61 2025-08-31T10:08:27,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si 2025-08-31T10:08:27,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si 2025-08-31T10:08:27,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12 2025-08-31T10:08:27,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12 2025-08-31T10:08:27,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63 2025-08-31T10:08:27,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63 2025-08-31T10:08:27,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70 2025-08-31T10:08:27,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70 2025-08-31T10:08:27,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51 2025-08-31T10:08:27,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51 2025-08-31T10:08:27,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f 2025-08-31T10:08:27,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f 2025-08-31T10:08:27,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+ 2025-08-31T10:08:27,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+ 2025-08-31T10:08:27,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48 2025-08-31T10:08:27,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48 2025-08-31T10:08:27,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65 2025-08-31T10:08:27,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65 2025-08-31T10:08:27,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11 2025-08-31T10:08:27,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11 2025-08-31T10:08:27,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+ 2025-08-31T10:08:27,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+ 2025-08-31T10:08:27,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans 2025-08-31T10:08:27,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans 2025-08-31T10:08:27,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180 2025-08-31T10:08:27,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180 2025-08-31T10:08:27,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans 2025-08-31T10:08:27,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans 2025-08-31T10:08:27,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120 2025-08-31T10:08:27,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120 2025-08-31T10:08:27,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis 2025-08-31T10:08:27,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis 2025-08-31T10:08:27,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2 2025-08-31T10:08:27,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2 2025-08-31T10:08:27,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2 2025-08-31T10:08:27,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2 2025-08-31T10:08:27,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn 2025-08-31T10:08:27,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn 2025-08-31T10:08:27,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis 2025-08-31T10:08:27,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis 2025-08-31T10:08:27,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis 2025-08-31T10:08:27,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis 2025-08-31T10:08:27,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2 2025-08-31T10:08:27,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2 2025-08-31T10:08:27,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1 2025-08-31T10:08:27,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1 2025-08-31T10:08:27,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS 2025-08-31T10:08:27,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS 2025-08-31T10:08:27,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti 2025-08-31T10:08:27,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti 2025-08-31T10:08:27,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl 2025-08-31T10:08:27,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl 2025-08-31T10:08:27,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2 2025-08-31T10:08:27,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2 2025-08-31T10:08:27,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180 2025-08-31T10:08:27,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180 2025-08-31T10:08:27,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st 2025-08-31T10:08:27,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st 2025-08-31T10:08:27,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0 2025-08-31T10:08:27,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0 2025-08-31T10:08:27,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1 2025-08-31T10:08:27,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1 2025-08-31T10:08:27,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0 2025-08-31T10:08:27,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0 2025-08-31T10:08:27,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans 2025-08-31T10:08:27,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans 2025-08-31T10:08:27,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn 2025-08-31T10:08:27,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn 2025-08-31T10:08:27,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl 2025-08-31T10:08:27,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl 2025-08-31T10:08:27,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1 2025-08-31T10:08:27,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1 2025-08-31T10:08:27,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2 2025-08-31T10:08:27,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2 2025-08-31T10:08:27,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1 2025-08-31T10:08:27,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1 2025-08-31T10:08:27,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS 2025-08-31T10:08:27,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS 2025-08-31T10:08:27,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl 2025-08-31T10:08:27,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl 2025-08-31T10:08:27,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2 2025-08-31T10:08:27,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2 2025-08-31T10:08:27,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1 2025-08-31T10:08:27,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1 2025-08-31T10:08:27,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st 2025-08-31T10:08:27,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st 2025-08-31T10:08:27,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl 2025-08-31T10:08:27,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl 2025-08-31T10:08:27,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl 2025-08-31T10:08:27,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl 2025-08-31T10:08:27,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st 2025-08-31T10:08:27,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st 2025-08-31T10:08:27,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti 2025-08-31T10:08:27,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti 2025-08-31T10:08:27,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS 2025-08-31T10:08:27,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS 2025-08-31T10:08:27,474 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC 2025-08-31T10:08:27,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC 2025-08-31T10:08:27,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS 2025-08-31T10:08:27,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS 2025-08-31T10:08:27,481 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60 2025-08-31T10:08:27,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60 2025-08-31T10:08:27,485 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a 2025-08-31T10:08:27,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a 2025-08-31T10:08:27,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a 2025-08-31T10:08:27,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a 2025-08-31T10:08:27,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23 2025-08-31T10:08:27,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23 2025-08-31T10:08:27,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4 2025-08-31T10:08:27,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4 2025-08-31T10:08:27,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a 2025-08-31T10:08:27,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a 2025-08-31T10:08:27,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a 2025-08-31T10:08:27,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a 2025-08-31T10:08:27,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b 2025-08-31T10:08:27,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b 2025-08-31T10:08:27,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8 2025-08-31T10:08:27,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8 2025-08-31T10:08:27,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b 2025-08-31T10:08:27,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b 2025-08-31T10:08:27,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b 2025-08-31T10:08:27,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b 2025-08-31T10:08:27,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b 2025-08-31T10:08:27,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b 2025-08-31T10:08:27,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3 2025-08-31T10:08:27,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3 2025-08-31T10:08:27,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a 2025-08-31T10:08:27,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a 2025-08-31T10:08:27,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a 2025-08-31T10:08:27,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a 2025-08-31T10:08:27,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b 2025-08-31T10:08:27,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b 2025-08-31T10:08:27,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a 2025-08-31T10:08:27,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a 2025-08-31T10:08:27,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b 2025-08-31T10:08:27,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b 2025-08-31T10:08:27,554 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10 2025-08-31T10:08:27,555 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10 2025-08-31T10:08:27,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b 2025-08-31T10:08:27,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b 2025-08-31T10:08:27,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b 2025-08-31T10:08:27,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b 2025-08-31T10:08:27,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a 2025-08-31T10:08:27,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a 2025-08-31T10:08:27,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a 2025-08-31T10:08:27,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a 2025-08-31T10:08:27,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a 2025-08-31T10:08:27,574 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a 2025-08-31T10:08:27,577 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a 2025-08-31T10:08:27,578 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a 2025-08-31T10:08:27,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22 2025-08-31T10:08:27,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22 2025-08-31T10:08:27,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18 2025-08-31T10:08:27,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18 2025-08-31T10:08:27,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16 2025-08-31T10:08:27,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16 2025-08-31T10:08:27,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7 2025-08-31T10:08:27,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7 2025-08-31T10:08:27,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a 2025-08-31T10:08:27,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a 2025-08-31T10:08:27,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21 2025-08-31T10:08:27,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21 2025-08-31T10:08:27,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b 2025-08-31T10:08:27,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b 2025-08-31T10:08:27,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13 2025-08-31T10:08:27,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13 2025-08-31T10:08:27,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a 2025-08-31T10:08:27,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a 2025-08-31T10:08:27,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6 2025-08-31T10:08:27,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6 2025-08-31T10:08:27,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a 2025-08-31T10:08:27,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a 2025-08-31T10:08:27,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a 2025-08-31T10:08:27,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a 2025-08-31T10:08:27,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14 2025-08-31T10:08:27,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14 2025-08-31T10:08:27,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a 2025-08-31T10:08:27,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a 2025-08-31T10:08:27,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a 2025-08-31T10:08:27,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a 2025-08-31T10:08:27,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1 2025-08-31T10:08:27,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1 2025-08-31T10:08:27,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15 2025-08-31T10:08:27,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15 2025-08-31T10:08:27,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19 2025-08-31T10:08:27,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19 2025-08-31T10:08:27,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b 2025-08-31T10:08:27,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b 2025-08-31T10:08:27,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b 2025-08-31T10:08:27,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b 2025-08-31T10:08:27,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b 2025-08-31T10:08:27,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b 2025-08-31T10:08:27,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2 2025-08-31T10:08:27,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2 2025-08-31T10:08:27,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20 2025-08-31T10:08:27,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20 2025-08-31T10:08:27,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b 2025-08-31T10:08:27,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b 2025-08-31T10:08:27,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5 2025-08-31T10:08:27,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5 2025-08-31T10:08:27,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b 2025-08-31T10:08:27,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b 2025-08-31T10:08:27,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b 2025-08-31T10:08:27,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b 2025-08-31T10:08:27,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b 2025-08-31T10:08:27,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b 2025-08-31T10:08:27,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b 2025-08-31T10:08:27,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b 2025-08-31T10:08:27,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b 2025-08-31T10:08:27,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b 2025-08-31T10:08:27,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12 2025-08-31T10:08:27,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12 2025-08-31T10:08:27,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b 2025-08-31T10:08:27,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b 2025-08-31T10:08:27,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17 2025-08-31T10:08:27,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17 2025-08-31T10:08:27,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9 2025-08-31T10:08:27,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9 2025-08-31T10:08:27,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a 2025-08-31T10:08:27,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a 2025-08-31T10:08:27,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b 2025-08-31T10:08:27,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b 2025-08-31T10:08:27,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a 2025-08-31T10:08:27,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a 2025-08-31T10:08:27,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b 2025-08-31T10:08:27,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b 2025-08-31T10:08:27,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b 2025-08-31T10:08:27,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b 2025-08-31T10:08:27,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a 2025-08-31T10:08:27,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a 2025-08-31T10:08:27,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a 2025-08-31T10:08:27,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a 2025-08-31T10:08:27,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b 2025-08-31T10:08:27,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b 2025-08-31T10:08:27,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a 2025-08-31T10:08:27,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a 2025-08-31T10:08:27,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a 2025-08-31T10:08:27,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a 2025-08-31T10:08:27,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11 2025-08-31T10:08:27,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11 2025-08-31T10:08:27,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1 2025-08-31T10:08:27,763 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1 2025-08-31T10:08:27,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3 2025-08-31T10:08:27,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3 2025-08-31T10:08:27,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4 2025-08-31T10:08:27,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4 2025-08-31T10:08:27,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1 2025-08-31T10:08:27,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1 2025-08-31T10:08:27,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3 2025-08-31T10:08:27,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3 2025-08-31T10:08:27,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10 2025-08-31T10:08:27,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10 2025-08-31T10:08:27,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10 2025-08-31T10:08:27,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10 2025-08-31T10:08:27,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9 2025-08-31T10:08:27,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9 2025-08-31T10:08:27,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9 2025-08-31T10:08:27,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9 2025-08-31T10:08:27,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8 2025-08-31T10:08:27,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8 2025-08-31T10:08:27,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5 2025-08-31T10:08:27,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5 2025-08-31T10:08:27,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5 2025-08-31T10:08:27,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5 2025-08-31T10:08:27,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2 2025-08-31T10:08:27,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2 2025-08-31T10:08:27,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7 2025-08-31T10:08:27,808 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7 2025-08-31T10:08:27,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4 2025-08-31T10:08:27,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4 2025-08-31T10:08:27,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6 2025-08-31T10:08:27,815 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6 2025-08-31T10:08:27,817 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6 2025-08-31T10:08:27,818 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6 2025-08-31T10:08:27,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8 2025-08-31T10:08:27,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8 2025-08-31T10:08:27,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2 2025-08-31T10:08:27,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2 2025-08-31T10:08:27,827 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7 2025-08-31T10:08:27,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7 2025-08-31T10:08:27,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02 2025-08-31T10:08:27,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02 2025-08-31T10:08:27,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a 2025-08-31T10:08:27,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a 2025-08-31T10:08:27,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a 2025-08-31T10:08:27,838 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a 2025-08-31T10:08:27,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08 2025-08-31T10:08:27,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08 2025-08-31T10:08:27,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a 2025-08-31T10:08:27,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a 2025-08-31T10:08:27,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b 2025-08-31T10:08:27,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b 2025-08-31T10:08:27,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b 2025-08-31T10:08:27,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b 2025-08-31T10:08:27,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a 2025-08-31T10:08:27,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a 2025-08-31T10:08:27,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b 2025-08-31T10:08:27,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b 2025-08-31T10:08:27,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a 2025-08-31T10:08:27,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a 2025-08-31T10:08:27,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06 2025-08-31T10:08:27,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06 2025-08-31T10:08:27,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a 2025-08-31T10:08:27,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a 2025-08-31T10:08:27,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10 2025-08-31T10:08:27,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10 2025-08-31T10:08:27,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a 2025-08-31T10:08:27,875 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a 2025-08-31T10:08:27,877 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a 2025-08-31T10:08:27,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a 2025-08-31T10:08:27,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b 2025-08-31T10:08:27,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b 2025-08-31T10:08:27,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a 2025-08-31T10:08:27,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a 2025-08-31T10:08:27,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22 2025-08-31T10:08:27,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22 2025-08-31T10:08:27,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18 2025-08-31T10:08:27,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18 2025-08-31T10:08:27,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16 2025-08-31T10:08:27,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16 2025-08-31T10:08:27,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04 2025-08-31T10:08:27,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04 2025-08-31T10:08:27,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a 2025-08-31T10:08:27,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a 2025-08-31T10:08:27,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a 2025-08-31T10:08:27,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a 2025-08-31T10:08:27,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09 2025-08-31T10:08:27,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09 2025-08-31T10:08:27,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a 2025-08-31T10:08:27,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a 2025-08-31T10:08:27,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b 2025-08-31T10:08:27,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b 2025-08-31T10:08:27,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21 2025-08-31T10:08:27,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21 2025-08-31T10:08:27,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13 2025-08-31T10:08:27,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13 2025-08-31T10:08:27,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a 2025-08-31T10:08:27,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a 2025-08-31T10:08:27,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14 2025-08-31T10:08:27,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14 2025-08-31T10:08:27,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a 2025-08-31T10:08:27,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a 2025-08-31T10:08:27,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a 2025-08-31T10:08:27,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a 2025-08-31T10:08:27,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15 2025-08-31T10:08:27,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15 2025-08-31T10:08:27,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a 2025-08-31T10:08:27,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a 2025-08-31T10:08:27,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19 2025-08-31T10:08:27,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19 2025-08-31T10:08:27,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01 2025-08-31T10:08:27,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01 2025-08-31T10:08:27,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b 2025-08-31T10:08:27,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b 2025-08-31T10:08:27,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03 2025-08-31T10:08:27,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03 2025-08-31T10:08:27,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20 2025-08-31T10:08:27,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20 2025-08-31T10:08:27,963 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b 2025-08-31T10:08:27,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b 2025-08-31T10:08:27,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b 2025-08-31T10:08:27,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b 2025-08-31T10:08:27,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b 2025-08-31T10:08:27,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b 2025-08-31T10:08:27,973 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b 2025-08-31T10:08:27,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b 2025-08-31T10:08:27,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12 2025-08-31T10:08:27,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12 2025-08-31T10:08:27,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b 2025-08-31T10:08:27,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b 2025-08-31T10:08:27,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17 2025-08-31T10:08:27,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17 2025-08-31T10:08:27,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a 2025-08-31T10:08:27,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a 2025-08-31T10:08:27,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a 2025-08-31T10:08:27,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a 2025-08-31T10:08:27,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05 2025-08-31T10:08:27,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05 2025-08-31T10:08:27,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b 2025-08-31T10:08:27,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b 2025-08-31T10:08:27,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a 2025-08-31T10:08:28,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a 2025-08-31T10:08:28,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b 2025-08-31T10:08:28,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b 2025-08-31T10:08:28,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a 2025-08-31T10:08:28,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a 2025-08-31T10:08:28,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07 2025-08-31T10:08:28,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07 2025-08-31T10:08:28,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a 2025-08-31T10:08:28,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a 2025-08-31T10:08:28,016 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a 2025-08-31T10:08:28,017 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a 2025-08-31T10:08:28,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11 2025-08-31T10:08:28,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11 2025-08-31T10:08:28,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab 2025-08-31T10:08:28,024 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab 2025-08-31T10:08:28,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag 2025-08-31T10:08:28,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag 2025-08-31T10:08:28,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah 2025-08-31T10:08:28,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah 2025-08-31T10:08:28,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad 2025-08-31T10:08:28,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad 2025-08-31T10:08:28,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag 2025-08-31T10:08:28,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag 2025-08-31T10:08:28,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab 2025-08-31T10:08:28,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab 2025-08-31T10:08:28,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf 2025-08-31T10:08:28,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf 2025-08-31T10:08:28,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae 2025-08-31T10:08:28,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae 2025-08-31T10:08:28,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf 2025-08-31T10:08:28,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf 2025-08-31T10:08:28,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay 2025-08-31T10:08:28,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay 2025-08-31T10:08:28,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag 2025-08-31T10:08:28,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag 2025-08-31T10:08:28,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi 2025-08-31T10:08:28,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi 2025-08-31T10:08:28,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav 2025-08-31T10:08:28,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav 2025-08-31T10:08:28,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj 2025-08-31T10:08:28,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj 2025-08-31T10:08:28,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah 2025-08-31T10:08:28,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah 2025-08-31T10:08:28,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan 2025-08-31T10:08:28,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan 2025-08-31T10:08:28,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao 2025-08-31T10:08:28,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao 2025-08-31T10:08:28,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap 2025-08-31T10:08:28,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap 2025-08-31T10:08:28,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf 2025-08-31T10:08:28,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf 2025-08-31T10:08:28,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah 2025-08-31T10:08:28,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah 2025-08-31T10:08:28,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau 2025-08-31T10:08:28,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau 2025-08-31T10:08:28,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab 2025-08-31T10:08:28,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab 2025-08-31T10:08:28,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf 2025-08-31T10:08:28,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf 2025-08-31T10:08:28,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag 2025-08-31T10:08:28,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag 2025-08-31T10:08:28,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan 2025-08-31T10:08:28,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan 2025-08-31T10:08:28,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad 2025-08-31T10:08:28,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad 2025-08-31T10:08:28,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx 2025-08-31T10:08:28,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx 2025-08-31T10:08:28,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq 2025-08-31T10:08:28,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq 2025-08-31T10:08:28,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad 2025-08-31T10:08:28,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad 2025-08-31T10:08:28,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo 2025-08-31T10:08:28,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo 2025-08-31T10:08:28,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac 2025-08-31T10:08:28,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac 2025-08-31T10:08:28,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah 2025-08-31T10:08:28,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah 2025-08-31T10:08:28,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan 2025-08-31T10:08:28,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan 2025-08-31T10:08:28,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar 2025-08-31T10:08:28,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar 2025-08-31T10:08:28,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac 2025-08-31T10:08:28,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac 2025-08-31T10:08:28,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae 2025-08-31T10:08:28,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae 2025-08-31T10:08:28,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal 2025-08-31T10:08:28,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal 2025-08-31T10:08:28,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak 2025-08-31T10:08:28,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak 2025-08-31T10:08:28,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav 2025-08-31T10:08:28,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav 2025-08-31T10:08:28,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar 2025-08-31T10:08:28,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar 2025-08-31T10:08:28,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab 2025-08-31T10:08:28,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab 2025-08-31T10:08:28,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat 2025-08-31T10:08:28,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat 2025-08-31T10:08:28,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab 2025-08-31T10:08:28,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab 2025-08-31T10:08:28,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae 2025-08-31T10:08:28,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae 2025-08-31T10:08:28,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz 2025-08-31T10:08:28,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz 2025-08-31T10:08:28,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak 2025-08-31T10:08:28,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak 2025-08-31T10:08:28,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc 2025-08-31T10:08:28,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc 2025-08-31T10:08:28,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf 2025-08-31T10:08:28,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf 2025-08-31T10:08:28,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah 2025-08-31T10:08:28,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah 2025-08-31T10:08:28,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj 2025-08-31T10:08:28,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj 2025-08-31T10:08:28,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao 2025-08-31T10:08:28,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao 2025-08-31T10:08:28,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad 2025-08-31T10:08:28,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad 2025-08-31T10:08:28,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae 2025-08-31T10:08:28,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae 2025-08-31T10:08:28,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal 2025-08-31T10:08:28,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal 2025-08-31T10:08:28,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb 2025-08-31T10:08:28,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb 2025-08-31T10:08:28,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah 2025-08-31T10:08:28,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah 2025-08-31T10:08:28,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar 2025-08-31T10:08:28,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar 2025-08-31T10:08:28,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap 2025-08-31T10:08:28,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap 2025-08-31T10:08:28,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab 2025-08-31T10:08:28,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab 2025-08-31T10:08:28,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae 2025-08-31T10:08:28,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae 2025-08-31T10:08:28,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah 2025-08-31T10:08:28,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah 2025-08-31T10:08:28,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab 2025-08-31T10:08:28,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab 2025-08-31T10:08:28,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau 2025-08-31T10:08:28,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau 2025-08-31T10:08:28,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci 2025-08-31T10:08:28,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci 2025-08-31T10:08:28,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag 2025-08-31T10:08:28,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag 2025-08-31T10:08:28,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag 2025-08-31T10:08:28,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag 2025-08-31T10:08:28,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag 2025-08-31T10:08:28,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag 2025-08-31T10:08:28,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam 2025-08-31T10:08:28,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam 2025-08-31T10:08:28,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv 2025-08-31T10:08:28,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv 2025-08-31T10:08:28,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak 2025-08-31T10:08:28,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak 2025-08-31T10:08:28,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai 2025-08-31T10:08:28,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai 2025-08-31T10:08:28,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas 2025-08-31T10:08:28,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas 2025-08-31T10:08:28,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal 2025-08-31T10:08:28,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal 2025-08-31T10:08:28,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq 2025-08-31T10:08:28,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq 2025-08-31T10:08:28,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav 2025-08-31T10:08:28,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav 2025-08-31T10:08:28,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac 2025-08-31T10:08:28,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac 2025-08-31T10:08:28,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar 2025-08-31T10:08:28,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar 2025-08-31T10:08:28,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao 2025-08-31T10:08:28,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao 2025-08-31T10:08:28,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag 2025-08-31T10:08:28,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag 2025-08-31T10:08:28,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac 2025-08-31T10:08:28,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac 2025-08-31T10:08:28,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat 2025-08-31T10:08:28,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat 2025-08-31T10:08:28,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai 2025-08-31T10:08:28,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai 2025-08-31T10:08:28,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq 2025-08-31T10:08:28,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq 2025-08-31T10:08:28,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal 2025-08-31T10:08:28,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal 2025-08-31T10:08:28,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad 2025-08-31T10:08:28,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad 2025-08-31T10:08:28,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq 2025-08-31T10:08:28,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq 2025-08-31T10:08:28,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah 2025-08-31T10:08:28,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah 2025-08-31T10:08:28,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby 2025-08-31T10:08:28,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby 2025-08-31T10:08:28,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw 2025-08-31T10:08:28,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw 2025-08-31T10:08:28,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm 2025-08-31T10:08:28,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm 2025-08-31T10:08:28,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj 2025-08-31T10:08:28,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj 2025-08-31T10:08:28,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak 2025-08-31T10:08:28,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak 2025-08-31T10:08:28,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf 2025-08-31T10:08:28,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf 2025-08-31T10:08:28,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap 2025-08-31T10:08:28,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap 2025-08-31T10:08:28,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal 2025-08-31T10:08:28,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal 2025-08-31T10:08:28,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai 2025-08-31T10:08:28,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai 2025-08-31T10:08:28,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad 2025-08-31T10:08:28,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad 2025-08-31T10:08:28,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan 2025-08-31T10:08:28,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan 2025-08-31T10:08:28,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak 2025-08-31T10:08:28,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak 2025-08-31T10:08:28,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad 2025-08-31T10:08:28,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad 2025-08-31T10:08:28,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5 2025-08-31T10:08:28,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5 2025-08-31T10:08:28,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29 2025-08-31T10:08:28,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29 2025-08-31T10:08:28,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1 2025-08-31T10:08:28,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1 2025-08-31T10:08:28,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13 2025-08-31T10:08:28,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13 2025-08-31T10:08:28,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17 2025-08-31T10:08:28,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17 2025-08-31T10:08:28,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18 2025-08-31T10:08:28,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18 2025-08-31T10:08:28,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17 2025-08-31T10:08:28,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17 2025-08-31T10:08:28,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15 2025-08-31T10:08:28,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15 2025-08-31T10:08:28,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32 2025-08-31T10:08:28,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32 2025-08-31T10:08:28,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12 2025-08-31T10:08:28,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12 2025-08-31T10:08:28,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28 2025-08-31T10:08:28,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28 2025-08-31T10:08:28,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33 2025-08-31T10:08:28,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33 2025-08-31T10:08:28,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18 2025-08-31T10:08:28,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18 2025-08-31T10:08:28,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7 2025-08-31T10:08:28,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7 2025-08-31T10:08:28,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20 2025-08-31T10:08:28,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20 2025-08-31T10:08:28,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14 2025-08-31T10:08:28,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14 2025-08-31T10:08:28,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25 2025-08-31T10:08:28,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25 2025-08-31T10:08:28,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23 2025-08-31T10:08:28,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23 2025-08-31T10:08:28,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8 2025-08-31T10:08:28,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8 2025-08-31T10:08:28,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3 2025-08-31T10:08:28,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3 2025-08-31T10:08:28,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4 2025-08-31T10:08:28,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4 2025-08-31T10:08:28,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7 2025-08-31T10:08:28,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7 2025-08-31T10:08:28,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19 2025-08-31T10:08:28,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19 2025-08-31T10:08:28,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27 2025-08-31T10:08:28,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27 2025-08-31T10:08:28,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30 2025-08-31T10:08:28,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30 2025-08-31T10:08:28,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33 2025-08-31T10:08:28,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33 2025-08-31T10:08:28,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9 2025-08-31T10:08:28,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9 2025-08-31T10:08:28,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27 2025-08-31T10:08:28,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27 2025-08-31T10:08:28,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25 2025-08-31T10:08:28,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25 2025-08-31T10:08:28,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16 2025-08-31T10:08:28,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16 2025-08-31T10:08:28,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21 2025-08-31T10:08:28,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21 2025-08-31T10:08:28,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12 2025-08-31T10:08:28,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12 2025-08-31T10:08:28,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6 2025-08-31T10:08:28,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6 2025-08-31T10:08:28,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31 2025-08-31T10:08:28,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31 2025-08-31T10:08:28,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4 2025-08-31T10:08:28,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4 2025-08-31T10:08:28,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16 2025-08-31T10:08:28,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16 2025-08-31T10:08:28,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20 2025-08-31T10:08:28,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20 2025-08-31T10:08:28,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13 2025-08-31T10:08:28,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13 2025-08-31T10:08:28,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30 2025-08-31T10:08:28,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30 2025-08-31T10:08:28,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24 2025-08-31T10:08:28,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24 2025-08-31T10:08:28,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34 2025-08-31T10:08:28,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34 2025-08-31T10:08:28,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24 2025-08-31T10:08:28,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24 2025-08-31T10:08:28,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34 2025-08-31T10:08:28,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34 2025-08-31T10:08:28,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31 2025-08-31T10:08:28,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31 2025-08-31T10:08:28,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22 2025-08-31T10:08:28,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22 2025-08-31T10:08:28,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8 2025-08-31T10:08:28,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8 2025-08-31T10:08:28,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23 2025-08-31T10:08:28,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23 2025-08-31T10:08:28,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1 2025-08-31T10:08:28,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1 2025-08-31T10:08:28,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26 2025-08-31T10:08:28,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26 2025-08-31T10:08:28,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10 2025-08-31T10:08:28,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10 2025-08-31T10:08:28,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21 2025-08-31T10:08:28,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21 2025-08-31T10:08:28,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9 2025-08-31T10:08:28,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9 2025-08-31T10:08:28,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14 2025-08-31T10:08:28,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14 2025-08-31T10:08:28,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11 2025-08-31T10:08:28,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11 2025-08-31T10:08:28,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32 2025-08-31T10:08:28,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32 2025-08-31T10:08:28,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15 2025-08-31T10:08:28,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15 2025-08-31T10:08:28,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28 2025-08-31T10:08:28,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28 2025-08-31T10:08:28,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26 2025-08-31T10:08:28,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26 2025-08-31T10:08:28,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29 2025-08-31T10:08:28,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29 2025-08-31T10:08:28,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3 2025-08-31T10:08:28,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3 2025-08-31T10:08:28,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2 2025-08-31T10:08:28,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2 2025-08-31T10:08:28,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10 2025-08-31T10:08:28,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10 2025-08-31T10:08:28,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11 2025-08-31T10:08:28,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11 2025-08-31T10:08:28,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2 2025-08-31T10:08:28,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2 2025-08-31T10:08:28,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+ 2025-08-31T10:08:28,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+ 2025-08-31T10:08:28,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+ 2025-08-31T10:08:28,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+ 2025-08-31T10:08:28,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+ 2025-08-31T10:08:28,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+ 2025-08-31T10:08:28,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3 2025-08-31T10:08:28,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3 2025-08-31T10:08:28,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be 2025-08-31T10:08:28,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be 2025-08-31T10:08:28,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4 2025-08-31T10:08:28,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4 2025-08-31T10:08:28,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+ 2025-08-31T10:08:28,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+ 2025-08-31T10:08:28,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+ 2025-08-31T10:08:28,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+ 2025-08-31T10:08:28,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+ 2025-08-31T10:08:28,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+ 2025-08-31T10:08:28,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+ 2025-08-31T10:08:28,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+ 2025-08-31T10:08:28,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3 2025-08-31T10:08:28,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3 2025-08-31T10:08:28,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+ 2025-08-31T10:08:28,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+ 2025-08-31T10:08:28,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg 2025-08-31T10:08:28,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg 2025-08-31T10:08:28,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s 2025-08-31T10:08:28,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s 2025-08-31T10:08:28,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o 2025-08-31T10:08:28,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o 2025-08-31T10:08:28,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+ 2025-08-31T10:08:28,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+ 2025-08-31T10:08:28,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6 2025-08-31T10:08:28,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6 2025-08-31T10:08:28,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+ 2025-08-31T10:08:28,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+ 2025-08-31T10:08:28,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4 2025-08-31T10:08:28,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4 2025-08-31T10:08:28,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62 2025-08-31T10:08:28,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62 2025-08-31T10:08:28,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24 2025-08-31T10:08:28,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24 2025-08-31T10:08:28,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13 2025-08-31T10:08:28,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13 2025-08-31T10:08:28,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42 2025-08-31T10:08:28,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42 2025-08-31T10:08:28,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63 2025-08-31T10:08:28,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63 2025-08-31T10:08:28,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11 2025-08-31T10:08:28,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11 2025-08-31T10:08:28,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10 2025-08-31T10:08:28,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10 2025-08-31T10:08:28,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27 2025-08-31T10:08:28,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27 2025-08-31T10:08:28,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15 2025-08-31T10:08:28,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15 2025-08-31T10:08:28,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21 2025-08-31T10:08:28,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21 2025-08-31T10:08:28,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56 2025-08-31T10:08:28,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56 2025-08-31T10:08:28,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45 2025-08-31T10:08:28,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45 2025-08-31T10:08:28,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3 2025-08-31T10:08:28,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3 2025-08-31T10:08:28,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64 2025-08-31T10:08:28,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64 2025-08-31T10:08:28,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49 2025-08-31T10:08:28,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49 2025-08-31T10:08:28,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44 2025-08-31T10:08:28,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44 2025-08-31T10:08:28,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32 2025-08-31T10:08:28,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32 2025-08-31T10:08:28,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20 2025-08-31T10:08:28,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20 2025-08-31T10:08:28,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35 2025-08-31T10:08:28,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35 2025-08-31T10:08:28,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40 2025-08-31T10:08:28,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40 2025-08-31T10:08:28,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25 2025-08-31T10:08:28,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25 2025-08-31T10:08:28,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14 2025-08-31T10:08:28,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14 2025-08-31T10:08:28,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29 2025-08-31T10:08:28,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29 2025-08-31T10:08:28,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4 2025-08-31T10:08:28,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4 2025-08-31T10:08:28,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22 2025-08-31T10:08:28,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22 2025-08-31T10:08:28,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16 2025-08-31T10:08:28,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16 2025-08-31T10:08:28,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34 2025-08-31T10:08:28,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34 2025-08-31T10:08:28,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28 2025-08-31T10:08:28,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28 2025-08-31T10:08:28,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2 2025-08-31T10:08:28,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2 2025-08-31T10:08:28,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9 2025-08-31T10:08:28,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9 2025-08-31T10:08:28,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18 2025-08-31T10:08:28,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18 2025-08-31T10:08:28,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19 2025-08-31T10:08:28,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19 2025-08-31T10:08:28,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50 2025-08-31T10:08:28,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50 2025-08-31T10:08:28,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57 2025-08-31T10:08:28,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57 2025-08-31T10:08:28,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41 2025-08-31T10:08:28,760 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41 2025-08-31T10:08:28,762 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1 2025-08-31T10:08:28,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1 2025-08-31T10:08:28,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31 2025-08-31T10:08:28,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31 2025-08-31T10:08:28,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38 2025-08-31T10:08:28,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38 2025-08-31T10:08:28,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8 2025-08-31T10:08:28,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8 2025-08-31T10:08:28,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65 2025-08-31T10:08:28,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65 2025-08-31T10:08:28,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12 2025-08-31T10:08:28,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12 2025-08-31T10:08:28,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51 2025-08-31T10:08:28,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51 2025-08-31T10:08:28,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55 2025-08-31T10:08:28,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55 2025-08-31T10:08:28,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17 2025-08-31T10:08:28,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17 2025-08-31T10:08:28,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33 2025-08-31T10:08:28,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33 2025-08-31T10:08:28,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59 2025-08-31T10:08:28,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59 2025-08-31T10:08:28,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37 2025-08-31T10:08:28,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37 2025-08-31T10:08:28,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47 2025-08-31T10:08:28,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47 2025-08-31T10:08:28,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48 2025-08-31T10:08:28,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48 2025-08-31T10:08:28,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53 2025-08-31T10:08:28,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53 2025-08-31T10:08:28,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61 2025-08-31T10:08:28,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61 2025-08-31T10:08:28,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6 2025-08-31T10:08:28,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6 2025-08-31T10:08:28,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39 2025-08-31T10:08:28,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39 2025-08-31T10:08:28,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54 2025-08-31T10:08:28,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54 2025-08-31T10:08:28,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5 2025-08-31T10:08:28,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5 2025-08-31T10:08:28,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60 2025-08-31T10:08:28,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60 2025-08-31T10:08:28,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7 2025-08-31T10:08:28,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7 2025-08-31T10:08:28,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43 2025-08-31T10:08:28,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43 2025-08-31T10:08:28,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26 2025-08-31T10:08:28,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26 2025-08-31T10:08:28,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23 2025-08-31T10:08:28,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23 2025-08-31T10:08:28,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36 2025-08-31T10:08:28,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36 2025-08-31T10:08:28,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58 2025-08-31T10:08:28,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58 2025-08-31T10:08:28,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52 2025-08-31T10:08:28,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52 2025-08-31T10:08:28,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46 2025-08-31T10:08:28,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46 2025-08-31T10:08:28,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30 2025-08-31T10:08:28,862 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30 2025-08-31T10:08:28,864 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51 2025-08-31T10:08:28,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51 2025-08-31T10:08:28,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49 2025-08-31T10:08:28,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49 2025-08-31T10:08:28,871 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45 2025-08-31T10:08:28,872 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45 2025-08-31T10:08:28,874 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48 2025-08-31T10:08:28,875 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48 2025-08-31T10:08:28,877 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46 2025-08-31T10:08:28,878 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46 2025-08-31T10:08:28,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40 2025-08-31T10:08:28,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40 2025-08-31T10:08:28,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60 2025-08-31T10:08:28,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60 2025-08-31T10:08:28,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40 2025-08-31T10:08:28,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40 2025-08-31T10:08:28,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56 2025-08-31T10:08:28,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56 2025-08-31T10:08:28,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22 2025-08-31T10:08:28,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22 2025-08-31T10:08:28,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49 2025-08-31T10:08:28,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49 2025-08-31T10:08:28,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26 2025-08-31T10:08:28,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26 2025-08-31T10:08:28,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51 2025-08-31T10:08:28,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51 2025-08-31T10:08:28,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44 2025-08-31T10:08:28,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44 2025-08-31T10:08:28,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47 2025-08-31T10:08:28,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47 2025-08-31T10:08:28,914 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20 2025-08-31T10:08:28,915 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20 2025-08-31T10:08:28,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25 2025-08-31T10:08:28,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25 2025-08-31T10:08:28,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28 2025-08-31T10:08:28,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28 2025-08-31T10:08:28,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48 2025-08-31T10:08:28,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48 2025-08-31T10:08:28,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56 2025-08-31T10:08:28,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56 2025-08-31T10:08:28,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43 2025-08-31T10:08:28,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43 2025-08-31T10:08:28,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45 2025-08-31T10:08:28,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45 2025-08-31T10:08:28,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46 2025-08-31T10:08:28,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46 2025-08-31T10:08:28,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22 2025-08-31T10:08:28,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22 2025-08-31T10:08:28,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52 2025-08-31T10:08:28,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52 2025-08-31T10:08:28,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44 2025-08-31T10:08:28,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44 2025-08-31T10:08:28,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20 2025-08-31T10:08:28,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20 2025-08-31T10:08:28,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21 2025-08-31T10:08:28,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21 2025-08-31T10:08:28,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26 2025-08-31T10:08:28,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26 2025-08-31T10:08:28,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25 2025-08-31T10:08:28,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25 2025-08-31T10:08:28,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52 2025-08-31T10:08:28,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52 2025-08-31T10:08:28,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47 2025-08-31T10:08:28,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47 2025-08-31T10:08:28,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57 2025-08-31T10:08:28,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57 2025-08-31T10:08:28,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43 2025-08-31T10:08:28,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43 2025-08-31T10:08:28,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29 2025-08-31T10:08:28,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29 2025-08-31T10:08:28,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60 2025-08-31T10:08:28,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60 2025-08-31T10:08:28,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e 2025-08-31T10:08:28,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e 2025-08-31T10:08:28,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3 2025-08-31T10:08:28,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3 2025-08-31T10:08:28,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2 2025-08-31T10:08:28,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2 2025-08-31T10:08:28,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1 2025-08-31T10:08:28,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1 2025-08-31T10:08:28,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1 2025-08-31T10:08:28,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1 2025-08-31T10:08:29,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e 2025-08-31T10:08:29,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e 2025-08-31T10:08:29,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p 2025-08-31T10:08:29,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p 2025-08-31T10:08:29,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr 2025-08-31T10:08:29,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr 2025-08-31T10:08:29,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e 2025-08-31T10:08:29,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e 2025-08-31T10:08:29,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e 2025-08-31T10:08:29,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e 2025-08-31T10:08:29,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1 2025-08-31T10:08:29,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1 2025-08-31T10:08:29,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2 2025-08-31T10:08:29,021 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2 2025-08-31T10:08:29,023 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2 2025-08-31T10:08:29,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2 2025-08-31T10:08:29,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1 2025-08-31T10:08:29,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1 2025-08-31T10:08:29,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4 2025-08-31T10:08:29,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4 2025-08-31T10:08:29,033 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1 2025-08-31T10:08:29,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1 2025-08-31T10:08:29,036 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6 2025-08-31T10:08:29,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6 2025-08-31T10:08:29,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2 2025-08-31T10:08:29,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2 2025-08-31T10:08:29,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p 2025-08-31T10:08:29,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p 2025-08-31T10:08:29,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1 2025-08-31T10:08:29,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1 2025-08-31T10:08:29,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3 2025-08-31T10:08:29,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3 2025-08-31T10:08:29,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene 2025-08-31T10:08:29,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene 2025-08-31T10:08:29,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e 2025-08-31T10:08:29,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e 2025-08-31T10:08:29,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me 2025-08-31T10:08:29,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me 2025-08-31T10:08:29,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2 2025-08-31T10:08:29,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2 2025-08-31T10:08:29,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e 2025-08-31T10:08:29,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e 2025-08-31T10:08:29,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1 2025-08-31T10:08:29,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1 2025-08-31T10:08:29,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1 2025-08-31T10:08:29,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1 2025-08-31T10:08:29,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1 2025-08-31T10:08:29,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1 2025-08-31T10:08:29,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3 2025-08-31T10:08:29,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3 2025-08-31T10:08:29,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e 2025-08-31T10:08:29,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e 2025-08-31T10:08:29,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int 2025-08-31T10:08:29,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int 2025-08-31T10:08:29,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e 2025-08-31T10:08:29,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e 2025-08-31T10:08:29,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2 2025-08-31T10:08:29,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2 2025-08-31T10:08:29,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e 2025-08-31T10:08:29,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e 2025-08-31T10:08:29,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3 2025-08-31T10:08:29,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3 2025-08-31T10:08:29,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3 2025-08-31T10:08:29,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3 2025-08-31T10:08:29,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3 2025-08-31T10:08:29,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3 2025-08-31T10:08:29,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5 2025-08-31T10:08:29,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5 2025-08-31T10:08:29,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2 2025-08-31T10:08:29,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2 2025-08-31T10:08:29,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e 2025-08-31T10:08:29,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e 2025-08-31T10:08:29,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl 2025-08-31T10:08:29,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl 2025-08-31T10:08:29,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3 2025-08-31T10:08:29,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3 2025-08-31T10:08:29,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n 2025-08-31T10:08:29,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n 2025-08-31T10:08:29,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2 2025-08-31T10:08:29,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2 2025-08-31T10:08:29,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A 2025-08-31T10:08:29,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A 2025-08-31T10:08:29,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s 2025-08-31T10:08:29,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s 2025-08-31T10:08:29,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5 2025-08-31T10:08:29,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5 2025-08-31T10:08:29,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he 2025-08-31T10:08:29,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he 2025-08-31T10:08:29,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68 2025-08-31T10:08:29,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68 2025-08-31T10:08:29,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74 2025-08-31T10:08:29,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74 2025-08-31T10:08:29,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71 2025-08-31T10:08:29,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71 2025-08-31T10:08:29,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1 2025-08-31T10:08:29,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1 2025-08-31T10:08:29,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans 2025-08-31T10:08:29,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans 2025-08-31T10:08:29,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar 2025-08-31T10:08:29,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar 2025-08-31T10:08:29,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh 2025-08-31T10:08:29,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh 2025-08-31T10:08:29,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80 2025-08-31T10:08:29,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80 2025-08-31T10:08:29,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2 2025-08-31T10:08:29,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2 2025-08-31T10:08:29,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S 2025-08-31T10:08:29,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S 2025-08-31T10:08:29,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts 2025-08-31T10:08:29,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts 2025-08-31T10:08:29,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A 2025-08-31T10:08:29,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A 2025-08-31T10:08:29,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh 2025-08-31T10:08:29,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh 2025-08-31T10:08:29,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc 2025-08-31T10:08:29,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc 2025-08-31T10:08:29,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4 2025-08-31T10:08:29,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4 2025-08-31T10:08:29,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75 2025-08-31T10:08:29,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75 2025-08-31T10:08:29,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1 2025-08-31T10:08:29,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1 2025-08-31T10:08:29,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis 2025-08-31T10:08:29,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis 2025-08-31T10:08:29,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8 2025-08-31T10:08:29,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8 2025-08-31T10:08:29,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76 2025-08-31T10:08:29,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76 2025-08-31T10:08:29,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2 2025-08-31T10:08:29,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2 2025-08-31T10:08:29,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr 2025-08-31T10:08:29,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr 2025-08-31T10:08:29,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2 2025-08-31T10:08:29,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2 2025-08-31T10:08:29,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf 2025-08-31T10:08:29,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf 2025-08-31T10:08:29,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf 2025-08-31T10:08:29,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf 2025-08-31T10:08:29,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al 2025-08-31T10:08:29,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al 2025-08-31T10:08:29,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k 2025-08-31T10:08:29,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k 2025-08-31T10:08:29,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3 2025-08-31T10:08:29,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3 2025-08-31T10:08:29,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c 2025-08-31T10:08:29,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c 2025-08-31T10:08:29,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be 2025-08-31T10:08:29,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be 2025-08-31T10:08:29,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis 2025-08-31T10:08:29,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis 2025-08-31T10:08:29,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p 2025-08-31T10:08:29,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p 2025-08-31T10:08:29,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2 2025-08-31T10:08:29,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2 2025-08-31T10:08:29,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B 2025-08-31T10:08:29,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B 2025-08-31T10:08:29,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+ 2025-08-31T10:08:29,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+ 2025-08-31T10:08:29,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar 2025-08-31T10:08:29,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar 2025-08-31T10:08:29,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH 2025-08-31T10:08:29,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH 2025-08-31T10:08:29,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64 2025-08-31T10:08:29,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64 2025-08-31T10:08:29,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2 2025-08-31T10:08:29,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2 2025-08-31T10:08:29,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34 2025-08-31T10:08:29,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34 2025-08-31T10:08:29,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s 2025-08-31T10:08:29,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s 2025-08-31T10:08:29,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco 2025-08-31T10:08:29,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco 2025-08-31T10:08:29,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr 2025-08-31T10:08:29,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr 2025-08-31T10:08:29,284 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20 2025-08-31T10:08:29,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20 2025-08-31T10:08:29,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73 2025-08-31T10:08:29,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73 2025-08-31T10:08:29,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2 2025-08-31T10:08:29,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2 2025-08-31T10:08:29,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b 2025-08-31T10:08:29,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b 2025-08-31T10:08:29,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf 2025-08-31T10:08:29,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf 2025-08-31T10:08:29,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+ 2025-08-31T10:08:29,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+ 2025-08-31T10:08:29,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2 2025-08-31T10:08:29,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2 2025-08-31T10:08:29,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2 2025-08-31T10:08:29,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2 2025-08-31T10:08:29,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a 2025-08-31T10:08:29,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a 2025-08-31T10:08:29,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3 2025-08-31T10:08:29,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3 2025-08-31T10:08:29,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3 2025-08-31T10:08:29,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3 2025-08-31T10:08:29,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+ 2025-08-31T10:08:29,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+ 2025-08-31T10:08:29,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f 2025-08-31T10:08:29,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f 2025-08-31T10:08:29,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic 2025-08-31T10:08:29,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic 2025-08-31T10:08:29,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts 2025-08-31T10:08:29,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts 2025-08-31T10:08:29,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18 2025-08-31T10:08:29,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18 2025-08-31T10:08:29,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS 2025-08-31T10:08:29,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS 2025-08-31T10:08:29,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH 2025-08-31T10:08:29,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH 2025-08-31T10:08:29,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59 2025-08-31T10:08:29,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59 2025-08-31T10:08:29,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20 2025-08-31T10:08:29,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20 2025-08-31T10:08:29,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40 2025-08-31T10:08:29,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40 2025-08-31T10:08:29,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2 2025-08-31T10:08:29,354 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2 2025-08-31T10:08:29,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr 2025-08-31T10:08:29,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr 2025-08-31T10:08:29,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr 2025-08-31T10:08:29,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr 2025-08-31T10:08:29,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47 2025-08-31T10:08:29,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47 2025-08-31T10:08:29,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67 2025-08-31T10:08:29,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67 2025-08-31T10:08:29,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2 2025-08-31T10:08:29,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2 2025-08-31T10:08:29,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o 2025-08-31T10:08:29,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o 2025-08-31T10:08:29,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne 2025-08-31T10:08:29,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne 2025-08-31T10:08:29,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17 2025-08-31T10:08:29,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17 2025-08-31T10:08:29,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13 2025-08-31T10:08:29,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13 2025-08-31T10:08:29,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4 2025-08-31T10:08:29,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4 2025-08-31T10:08:29,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH 2025-08-31T10:08:29,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH 2025-08-31T10:08:29,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12 2025-08-31T10:08:29,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12 2025-08-31T10:08:29,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58 2025-08-31T10:08:29,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58 2025-08-31T10:08:29,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1 2025-08-31T10:08:29,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1 2025-08-31T10:08:29,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3 2025-08-31T10:08:29,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3 2025-08-31T10:08:29,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts 2025-08-31T10:08:29,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts 2025-08-31T10:08:29,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25 2025-08-31T10:08:29,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25 2025-08-31T10:08:29,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+ 2025-08-31T10:08:29,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+ 2025-08-31T10:08:29,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4 2025-08-31T10:08:29,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4 2025-08-31T10:08:29,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4 2025-08-31T10:08:29,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4 2025-08-31T10:08:29,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs 2025-08-31T10:08:29,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs 2025-08-31T10:08:29,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn 2025-08-31T10:08:29,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn 2025-08-31T10:08:29,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B 2025-08-31T10:08:29,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B 2025-08-31T10:08:29,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25 2025-08-31T10:08:29,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25 2025-08-31T10:08:29,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6 2025-08-31T10:08:29,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6 2025-08-31T10:08:29,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25 2025-08-31T10:08:29,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25 2025-08-31T10:08:29,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4 2025-08-31T10:08:29,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4 2025-08-31T10:08:29,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B 2025-08-31T10:08:29,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B 2025-08-31T10:08:29,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe 2025-08-31T10:08:29,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe 2025-08-31T10:08:29,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao 2025-08-31T10:08:29,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao 2025-08-31T10:08:29,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp 2025-08-31T10:08:29,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp 2025-08-31T10:08:29,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1 2025-08-31T10:08:29,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1 2025-08-31T10:08:29,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20 2025-08-31T10:08:29,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20 2025-08-31T10:08:29,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p 2025-08-31T10:08:29,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p 2025-08-31T10:08:29,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg 2025-08-31T10:08:29,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg 2025-08-31T10:08:29,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14 2025-08-31T10:08:29,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14 2025-08-31T10:08:29,474 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2 2025-08-31T10:08:29,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2 2025-08-31T10:08:29,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24 2025-08-31T10:08:29,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24 2025-08-31T10:08:29,481 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n 2025-08-31T10:08:29,482 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n 2025-08-31T10:08:29,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s 2025-08-31T10:08:29,485 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s 2025-08-31T10:08:29,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl 2025-08-31T10:08:29,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl 2025-08-31T10:08:29,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45 2025-08-31T10:08:29,492 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45 2025-08-31T10:08:29,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl 2025-08-31T10:08:29,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl 2025-08-31T10:08:29,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78 2025-08-31T10:08:29,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78 2025-08-31T10:08:29,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b 2025-08-31T10:08:29,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b 2025-08-31T10:08:29,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B 2025-08-31T10:08:29,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B 2025-08-31T10:08:29,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl 2025-08-31T10:08:29,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl 2025-08-31T10:08:29,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10 2025-08-31T10:08:29,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10 2025-08-31T10:08:29,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n 2025-08-31T10:08:29,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n 2025-08-31T10:08:29,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2 2025-08-31T10:08:29,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2 2025-08-31T10:08:29,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20 2025-08-31T10:08:29,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20 2025-08-31T10:08:29,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5 2025-08-31T10:08:29,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5 2025-08-31T10:08:29,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43 2025-08-31T10:08:29,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43 2025-08-31T10:08:29,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h 2025-08-31T10:08:29,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h 2025-08-31T10:08:29,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3 2025-08-31T10:08:29,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3 2025-08-31T10:08:29,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A 2025-08-31T10:08:29,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A 2025-08-31T10:08:29,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s- 2025-08-31T10:08:29,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s- 2025-08-31T10:08:29,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca 2025-08-31T10:08:29,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca 2025-08-31T10:08:29,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02 2025-08-31T10:08:29,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02 2025-08-31T10:08:29,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+ 2025-08-31T10:08:29,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+ 2025-08-31T10:08:29,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl 2025-08-31T10:08:29,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl 2025-08-31T10:08:29,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A 2025-08-31T10:08:29,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A 2025-08-31T10:08:29,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si 2025-08-31T10:08:29,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si 2025-08-31T10:08:29,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A 2025-08-31T10:08:29,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A 2025-08-31T10:08:29,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A 2025-08-31T10:08:29,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A 2025-08-31T10:08:29,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots 2025-08-31T10:08:29,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots 2025-08-31T10:08:29,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n 2025-08-31T10:08:29,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n 2025-08-31T10:08:29,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A 2025-08-31T10:08:29,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A 2025-08-31T10:08:29,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n 2025-08-31T10:08:29,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n 2025-08-31T10:08:29,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi 2025-08-31T10:08:29,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi 2025-08-31T10:08:29,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O 2025-08-31T10:08:29,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O 2025-08-31T10:08:29,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2 2025-08-31T10:08:29,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2 2025-08-31T10:08:29,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne 2025-08-31T10:08:29,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne 2025-08-31T10:08:29,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn 2025-08-31T10:08:29,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn 2025-08-31T10:08:29,600 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2 2025-08-31T10:08:29,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2 2025-08-31T10:08:29,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B 2025-08-31T10:08:29,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B 2025-08-31T10:08:29,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B 2025-08-31T10:08:29,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B 2025-08-31T10:08:29,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p 2025-08-31T10:08:29,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p 2025-08-31T10:08:29,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39 2025-08-31T10:08:29,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39 2025-08-31T10:08:29,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f 2025-08-31T10:08:29,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f 2025-08-31T10:08:29,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo 2025-08-31T10:08:29,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo 2025-08-31T10:08:29,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm 2025-08-31T10:08:29,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm 2025-08-31T10:08:29,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS 2025-08-31T10:08:29,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS 2025-08-31T10:08:29,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo 2025-08-31T10:08:29,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo 2025-08-31T10:08:29,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s 2025-08-31T10:08:29,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s 2025-08-31T10:08:29,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp 2025-08-31T10:08:29,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp 2025-08-31T10:08:29,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+ 2025-08-31T10:08:29,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+ 2025-08-31T10:08:29,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48 2025-08-31T10:08:29,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48 2025-08-31T10:08:29,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh 2025-08-31T10:08:29,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh 2025-08-31T10:08:29,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl 2025-08-31T10:08:29,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl 2025-08-31T10:08:29,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl 2025-08-31T10:08:29,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl 2025-08-31T10:08:29,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O 2025-08-31T10:08:29,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O 2025-08-31T10:08:29,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A 2025-08-31T10:08:29,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A 2025-08-31T10:08:29,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21 2025-08-31T10:08:29,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21 2025-08-31T10:08:29,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B 2025-08-31T10:08:29,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B 2025-08-31T10:08:29,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2 2025-08-31T10:08:29,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2 2025-08-31T10:08:29,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+ 2025-08-31T10:08:29,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+ 2025-08-31T10:08:29,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43 2025-08-31T10:08:29,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43 2025-08-31T10:08:29,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0 2025-08-31T10:08:29,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0 2025-08-31T10:08:29,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3 2025-08-31T10:08:29,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3 2025-08-31T10:08:29,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42 2025-08-31T10:08:29,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42 2025-08-31T10:08:29,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2 2025-08-31T10:08:29,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2 2025-08-31T10:08:29,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72 2025-08-31T10:08:29,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72 2025-08-31T10:08:29,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4 2025-08-31T10:08:29,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4 2025-08-31T10:08:29,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72 2025-08-31T10:08:29,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72 2025-08-31T10:08:29,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1 2025-08-31T10:08:29,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1 2025-08-31T10:08:29,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71 2025-08-31T10:08:29,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71 2025-08-31T10:08:29,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41 2025-08-31T10:08:29,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41 2025-08-31T10:08:29,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2 2025-08-31T10:08:29,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2 2025-08-31T10:08:29,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1 2025-08-31T10:08:29,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1 2025-08-31T10:08:29,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3 2025-08-31T10:08:29,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3 2025-08-31T10:08:29,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2 2025-08-31T10:08:29,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2 2025-08-31T10:08:29,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3 2025-08-31T10:08:29,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3 2025-08-31T10:08:29,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42 2025-08-31T10:08:29,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42 2025-08-31T10:08:29,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0 2025-08-31T10:08:29,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0 2025-08-31T10:08:29,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41 2025-08-31T10:08:29,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41 2025-08-31T10:08:29,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2 2025-08-31T10:08:29,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2 2025-08-31T10:08:29,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42 2025-08-31T10:08:29,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42 2025-08-31T10:08:29,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0 2025-08-31T10:08:29,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0 2025-08-31T10:08:29,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3 2025-08-31T10:08:29,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3 2025-08-31T10:08:29,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1 2025-08-31T10:08:29,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1 2025-08-31T10:08:29,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71 2025-08-31T10:08:29,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71 2025-08-31T10:08:29,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2 2025-08-31T10:08:29,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2 2025-08-31T10:08:29,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1 2025-08-31T10:08:29,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1 2025-08-31T10:08:29,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0 2025-08-31T10:08:29,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0 2025-08-31T10:08:29,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41 2025-08-31T10:08:29,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41 2025-08-31T10:08:29,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0 2025-08-31T10:08:29,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0 2025-08-31T10:08:29,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2 2025-08-31T10:08:29,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2 2025-08-31T10:08:29,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22 2025-08-31T10:08:29,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22 2025-08-31T10:08:29,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f 2025-08-31T10:08:29,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f 2025-08-31T10:08:29,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1 2025-08-31T10:08:29,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1 2025-08-31T10:08:29,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2 2025-08-31T10:08:29,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2 2025-08-31T10:08:29,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2 2025-08-31T10:08:29,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2 2025-08-31T10:08:29,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f 2025-08-31T10:08:29,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f 2025-08-31T10:08:29,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l 2025-08-31T10:08:29,808 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l 2025-08-31T10:08:29,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant 2025-08-31T10:08:29,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant 2025-08-31T10:08:29,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene 2025-08-31T10:08:29,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene 2025-08-31T10:08:29,817 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer 2025-08-31T10:08:29,818 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer 2025-08-31T10:08:29,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l 2025-08-31T10:08:29,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l 2025-08-31T10:08:29,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1 2025-08-31T10:08:29,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1 2025-08-31T10:08:29,827 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2 2025-08-31T10:08:29,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2 2025-08-31T10:08:29,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole 2025-08-31T10:08:29,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole 2025-08-31T10:08:29,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS 2025-08-31T10:08:29,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS 2025-08-31T10:08:29,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S 2025-08-31T10:08:29,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S 2025-08-31T10:08:29,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2025-08-31T10:08:29,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2025-08-31T10:08:29,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene 2025-08-31T10:08:29,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene 2025-08-31T10:08:29,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS 2025-08-31T10:08:29,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS 2025-08-31T10:08:29,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS 2025-08-31T10:08:29,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS 2025-08-31T10:08:29,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene 2025-08-31T10:08:29,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene 2025-08-31T10:08:29,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2 2025-08-31T10:08:29,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2 2025-08-31T10:08:29,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene 2025-08-31T10:08:29,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene 2025-08-31T10:08:29,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene 2025-08-31T10:08:29,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene 2025-08-31T10:08:29,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS 2025-08-31T10:08:29,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS 2025-08-31T10:08:29,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine 2025-08-31T10:08:29,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine 2025-08-31T10:08:29,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS 2025-08-31T10:08:29,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS 2025-08-31T10:08:29,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS 2025-08-31T10:08:29,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS 2025-08-31T10:08:29,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS 2025-08-31T10:08:29,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS 2025-08-31T10:08:29,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS 2025-08-31T10:08:29,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS 2025-08-31T10:08:29,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS 2025-08-31T10:08:29,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS 2025-08-31T10:08:29,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS 2025-08-31T10:08:29,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS 2025-08-31T10:08:29,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS 2025-08-31T10:08:29,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS 2025-08-31T10:08:29,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS 2025-08-31T10:08:29,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS 2025-08-31T10:08:29,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene 2025-08-31T10:08:29,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene 2025-08-31T10:08:29,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether 2025-08-31T10:08:29,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether 2025-08-31T10:08:29,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene 2025-08-31T10:08:29,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene 2025-08-31T10:08:29,914 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph 2025-08-31T10:08:29,915 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph 2025-08-31T10:08:29,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS 2025-08-31T10:08:29,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS 2025-08-31T10:08:29,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3 2025-08-31T10:08:29,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3 2025-08-31T10:08:29,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene 2025-08-31T10:08:29,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene 2025-08-31T10:08:29,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS 2025-08-31T10:08:29,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS 2025-08-31T10:08:29,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3 2025-08-31T10:08:29,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3 2025-08-31T10:08:29,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene 2025-08-31T10:08:29,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene 2025-08-31T10:08:29,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS 2025-08-31T10:08:29,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS 2025-08-31T10:08:29,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS 2025-08-31T10:08:29,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS 2025-08-31T10:08:29,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene 2025-08-31T10:08:29,947 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene 2025-08-31T10:08:29,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene 2025-08-31T10:08:29,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene 2025-08-31T10:08:29,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS 2025-08-31T10:08:29,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS 2025-08-31T10:08:29,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether 2025-08-31T10:08:29,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether 2025-08-31T10:08:29,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3 2025-08-31T10:08:29,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3 2025-08-31T10:08:29,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS 2025-08-31T10:08:29,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS 2025-08-31T10:08:29,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3 2025-08-31T10:08:29,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3 2025-08-31T10:08:29,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS 2025-08-31T10:08:29,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS 2025-08-31T10:08:29,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3 2025-08-31T10:08:29,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3 2025-08-31T10:08:29,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene 2025-08-31T10:08:29,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene 2025-08-31T10:08:29,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS 2025-08-31T10:08:29,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS 2025-08-31T10:08:29,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS 2025-08-31T10:08:29,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS 2025-08-31T10:08:29,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O 2025-08-31T10:08:29,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O 2025-08-31T10:08:29,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS 2025-08-31T10:08:29,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS 2025-08-31T10:08:29,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS 2025-08-31T10:08:29,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS 2025-08-31T10:08:29,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+ 2025-08-31T10:08:29,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+ 2025-08-31T10:08:30,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt 2025-08-31T10:08:30,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt 2025-08-31T10:08:30,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G 2025-08-31T10:08:30,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G 2025-08-31T10:08:30,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT 2025-08-31T10:08:30,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT 2025-08-31T10:08:30,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g- 2025-08-31T10:08:30,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g- 2025-08-31T10:08:30,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX 2025-08-31T10:08:30,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX 2025-08-31T10:08:30,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg 2025-08-31T10:08:30,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg 2025-08-31T10:08:30,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG 2025-08-31T10:08:30,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG 2025-08-31T10:08:30,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+ 2025-08-31T10:08:30,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+ 2025-08-31T10:08:30,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt 2025-08-31T10:08:30,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt 2025-08-31T10:08:30,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt 2025-08-31T10:08:30,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt 2025-08-31T10:08:30,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T 2025-08-31T10:08:30,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T 2025-08-31T10:08:30,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG 2025-08-31T10:08:30,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG 2025-08-31T10:08:30,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g- 2025-08-31T10:08:30,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g- 2025-08-31T10:08:30,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg 2025-08-31T10:08:30,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg 2025-08-31T10:08:30,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x- 2025-08-31T10:08:30,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x- 2025-08-31T10:08:30,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg 2025-08-31T10:08:30,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg 2025-08-31T10:08:30,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g- 2025-08-31T10:08:30,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g- 2025-08-31T10:08:30,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23 2025-08-31T10:08:30,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23 2025-08-31T10:08:30,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4 2025-08-31T10:08:30,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4 2025-08-31T10:08:30,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8 2025-08-31T10:08:30,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8 2025-08-31T10:08:30,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30 2025-08-31T10:08:30,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30 2025-08-31T10:08:30,073 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3 2025-08-31T10:08:30,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3 2025-08-31T10:08:30,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29 2025-08-31T10:08:30,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29 2025-08-31T10:08:30,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42 2025-08-31T10:08:30,081 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42 2025-08-31T10:08:30,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10 2025-08-31T10:08:30,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10 2025-08-31T10:08:30,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34 2025-08-31T10:08:30,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34 2025-08-31T10:08:30,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22 2025-08-31T10:08:30,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22 2025-08-31T10:08:30,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18 2025-08-31T10:08:30,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18 2025-08-31T10:08:30,098 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16 2025-08-31T10:08:30,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16 2025-08-31T10:08:30,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7 2025-08-31T10:08:30,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7 2025-08-31T10:08:30,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52 2025-08-31T10:08:30,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52 2025-08-31T10:08:30,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37 2025-08-31T10:08:30,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37 2025-08-31T10:08:30,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40 2025-08-31T10:08:30,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40 2025-08-31T10:08:30,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28 2025-08-31T10:08:30,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28 2025-08-31T10:08:30,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36 2025-08-31T10:08:30,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36 2025-08-31T10:08:30,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47 2025-08-31T10:08:30,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47 2025-08-31T10:08:30,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21 2025-08-31T10:08:30,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21 2025-08-31T10:08:30,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13 2025-08-31T10:08:30,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13 2025-08-31T10:08:30,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25 2025-08-31T10:08:30,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25 2025-08-31T10:08:30,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32 2025-08-31T10:08:30,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32 2025-08-31T10:08:30,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6 2025-08-31T10:08:30,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6 2025-08-31T10:08:30,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41 2025-08-31T10:08:30,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41 2025-08-31T10:08:30,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14 2025-08-31T10:08:30,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14 2025-08-31T10:08:30,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1 2025-08-31T10:08:30,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1 2025-08-31T10:08:30,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15 2025-08-31T10:08:30,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15 2025-08-31T10:08:30,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38 2025-08-31T10:08:30,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38 2025-08-31T10:08:30,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24 2025-08-31T10:08:30,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24 2025-08-31T10:08:30,162 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19 2025-08-31T10:08:30,163 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19 2025-08-31T10:08:30,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31 2025-08-31T10:08:30,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31 2025-08-31T10:08:30,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45 2025-08-31T10:08:30,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45 2025-08-31T10:08:30,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50 2025-08-31T10:08:30,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50 2025-08-31T10:08:30,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26 2025-08-31T10:08:30,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26 2025-08-31T10:08:30,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46 2025-08-31T10:08:30,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46 2025-08-31T10:08:30,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2 2025-08-31T10:08:30,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2 2025-08-31T10:08:30,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20 2025-08-31T10:08:30,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20 2025-08-31T10:08:30,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5 2025-08-31T10:08:30,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5 2025-08-31T10:08:30,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43 2025-08-31T10:08:30,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43 2025-08-31T10:08:30,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44 2025-08-31T10:08:30,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44 2025-08-31T10:08:30,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33 2025-08-31T10:08:30,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33 2025-08-31T10:08:30,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12 2025-08-31T10:08:30,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12 2025-08-31T10:08:30,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17 2025-08-31T10:08:30,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17 2025-08-31T10:08:30,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35 2025-08-31T10:08:30,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35 2025-08-31T10:08:30,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51 2025-08-31T10:08:30,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51 2025-08-31T10:08:30,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9 2025-08-31T10:08:30,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9 2025-08-31T10:08:30,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39 2025-08-31T10:08:30,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39 2025-08-31T10:08:30,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49 2025-08-31T10:08:30,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49 2025-08-31T10:08:30,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48 2025-08-31T10:08:30,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48 2025-08-31T10:08:30,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11 2025-08-31T10:08:30,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11 2025-08-31T10:08:30,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27 2025-08-31T10:08:30,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27 2025-08-31T10:08:30,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O 2025-08-31T10:08:30,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O 2025-08-31T10:08:30,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL 2025-08-31T10:08:30,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL 2025-08-31T10:08:30,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A 2025-08-31T10:08:30,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A 2025-08-31T10:08:30,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B 2025-08-31T10:08:30,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B 2025-08-31T10:08:30,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B 2025-08-31T10:08:30,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B 2025-08-31T10:08:30,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A 2025-08-31T10:08:30,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A 2025-08-31T10:08:30,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A 2025-08-31T10:08:30,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A 2025-08-31T10:08:30,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B 2025-08-31T10:08:30,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B 2025-08-31T10:08:30,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL 2025-08-31T10:08:30,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL 2025-08-31T10:08:30,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A 2025-08-31T10:08:30,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A 2025-08-31T10:08:30,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N 2025-08-31T10:08:30,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N 2025-08-31T10:08:30,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL 2025-08-31T10:08:30,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL 2025-08-31T10:08:30,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL 2025-08-31T10:08:30,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL 2025-08-31T10:08:30,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A 2025-08-31T10:08:30,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A 2025-08-31T10:08:30,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A 2025-08-31T10:08:30,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A 2025-08-31T10:08:30,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B 2025-08-31T10:08:30,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B 2025-08-31T10:08:30,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B 2025-08-31T10:08:30,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B 2025-08-31T10:08:30,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A 2025-08-31T10:08:30,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A 2025-08-31T10:08:30,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A 2025-08-31T10:08:30,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A 2025-08-31T10:08:30,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B 2025-08-31T10:08:30,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B 2025-08-31T10:08:30,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N 2025-08-31T10:08:30,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N 2025-08-31T10:08:30,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A 2025-08-31T10:08:30,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A 2025-08-31T10:08:30,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B 2025-08-31T10:08:30,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B 2025-08-31T10:08:30,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A 2025-08-31T10:08:30,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A 2025-08-31T10:08:30,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B 2025-08-31T10:08:30,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B 2025-08-31T10:08:30,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A 2025-08-31T10:08:30,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A 2025-08-31T10:08:30,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N 2025-08-31T10:08:30,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N 2025-08-31T10:08:30,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B 2025-08-31T10:08:30,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B 2025-08-31T10:08:30,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A 2025-08-31T10:08:30,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A 2025-08-31T10:08:30,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B 2025-08-31T10:08:30,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B 2025-08-31T10:08:30,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N 2025-08-31T10:08:30,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N 2025-08-31T10:08:30,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O 2025-08-31T10:08:30,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O 2025-08-31T10:08:30,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O 2025-08-31T10:08:30,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O 2025-08-31T10:08:30,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B 2025-08-31T10:08:30,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B 2025-08-31T10:08:30,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O 2025-08-31T10:08:30,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O 2025-08-31T10:08:30,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B 2025-08-31T10:08:30,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B 2025-08-31T10:08:30,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A 2025-08-31T10:08:30,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A 2025-08-31T10:08:30,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A 2025-08-31T10:08:30,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A 2025-08-31T10:08:30,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A 2025-08-31T10:08:30,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A 2025-08-31T10:08:30,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4 2025-08-31T10:08:30,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4 2025-08-31T10:08:30,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B 2025-08-31T10:08:30,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B 2025-08-31T10:08:30,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8 2025-08-31T10:08:30,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8 2025-08-31T10:08:30,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A 2025-08-31T10:08:30,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A 2025-08-31T10:08:30,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B 2025-08-31T10:08:30,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B 2025-08-31T10:08:30,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3 2025-08-31T10:08:30,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3 2025-08-31T10:08:30,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B 2025-08-31T10:08:30,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B 2025-08-31T10:08:30,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A 2025-08-31T10:08:30,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A 2025-08-31T10:08:30,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10 2025-08-31T10:08:30,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10 2025-08-31T10:08:30,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A 2025-08-31T10:08:30,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A 2025-08-31T10:08:30,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18 2025-08-31T10:08:30,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18 2025-08-31T10:08:30,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16 2025-08-31T10:08:30,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16 2025-08-31T10:08:30,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7 2025-08-31T10:08:30,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7 2025-08-31T10:08:30,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B 2025-08-31T10:08:30,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B 2025-08-31T10:08:30,412 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A 2025-08-31T10:08:30,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A 2025-08-31T10:08:30,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B 2025-08-31T10:08:30,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B 2025-08-31T10:08:30,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21 2025-08-31T10:08:30,420 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21 2025-08-31T10:08:30,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B 2025-08-31T10:08:30,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B 2025-08-31T10:08:30,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13 2025-08-31T10:08:30,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13 2025-08-31T10:08:30,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B 2025-08-31T10:08:30,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B 2025-08-31T10:08:30,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B 2025-08-31T10:08:30,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B 2025-08-31T10:08:30,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6 2025-08-31T10:08:30,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6 2025-08-31T10:08:30,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A 2025-08-31T10:08:30,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A 2025-08-31T10:08:30,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B 2025-08-31T10:08:30,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B 2025-08-31T10:08:30,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14 2025-08-31T10:08:30,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14 2025-08-31T10:08:30,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1 2025-08-31T10:08:30,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1 2025-08-31T10:08:30,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A 2025-08-31T10:08:30,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A 2025-08-31T10:08:30,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15 2025-08-31T10:08:30,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15 2025-08-31T10:08:30,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B 2025-08-31T10:08:30,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B 2025-08-31T10:08:30,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A 2025-08-31T10:08:30,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A 2025-08-31T10:08:30,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19 2025-08-31T10:08:30,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19 2025-08-31T10:08:30,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A 2025-08-31T10:08:30,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A 2025-08-31T10:08:30,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B 2025-08-31T10:08:30,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B 2025-08-31T10:08:30,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B 2025-08-31T10:08:30,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B 2025-08-31T10:08:30,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B 2025-08-31T10:08:30,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B 2025-08-31T10:08:30,481 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2 2025-08-31T10:08:30,482 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2 2025-08-31T10:08:30,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20 2025-08-31T10:08:30,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20 2025-08-31T10:08:30,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B 2025-08-31T10:08:30,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B 2025-08-31T10:08:30,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5 2025-08-31T10:08:30,492 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5 2025-08-31T10:08:30,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A 2025-08-31T10:08:30,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A 2025-08-31T10:08:30,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A 2025-08-31T10:08:30,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A 2025-08-31T10:08:30,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B 2025-08-31T10:08:30,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B 2025-08-31T10:08:30,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A 2025-08-31T10:08:30,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A 2025-08-31T10:08:30,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B 2025-08-31T10:08:30,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B 2025-08-31T10:08:30,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A 2025-08-31T10:08:30,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A 2025-08-31T10:08:30,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B 2025-08-31T10:08:30,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B 2025-08-31T10:08:30,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A 2025-08-31T10:08:30,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A 2025-08-31T10:08:30,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A 2025-08-31T10:08:30,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A 2025-08-31T10:08:30,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12 2025-08-31T10:08:30,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12 2025-08-31T10:08:30,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17 2025-08-31T10:08:30,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17 2025-08-31T10:08:30,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A 2025-08-31T10:08:30,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A 2025-08-31T10:08:30,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B 2025-08-31T10:08:30,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B 2025-08-31T10:08:30,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9 2025-08-31T10:08:30,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9 2025-08-31T10:08:30,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A 2025-08-31T10:08:30,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A 2025-08-31T10:08:30,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B 2025-08-31T10:08:30,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B 2025-08-31T10:08:30,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A 2025-08-31T10:08:30,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A 2025-08-31T10:08:30,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B 2025-08-31T10:08:30,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B 2025-08-31T10:08:30,554 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A 2025-08-31T10:08:30,555 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A 2025-08-31T10:08:30,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B 2025-08-31T10:08:30,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B 2025-08-31T10:08:30,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11 2025-08-31T10:08:30,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11 2025-08-31T10:08:30,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl 2025-08-31T10:08:30,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl 2025-08-31T10:08:30,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal 2025-08-31T10:08:30,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal 2025-08-31T10:08:30,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn 2025-08-31T10:08:30,574 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn 2025-08-31T10:08:30,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh 2025-08-31T10:08:30,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh 2025-08-31T10:08:30,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2 2025-08-31T10:08:30,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2 2025-08-31T10:08:30,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4 2025-08-31T10:08:30,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4 2025-08-31T10:08:30,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh 2025-08-31T10:08:30,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh 2025-08-31T10:08:30,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2 2025-08-31T10:08:30,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2 2025-08-31T10:08:30,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2 2025-08-31T10:08:30,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2 2025-08-31T10:08:30,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs 2025-08-31T10:08:30,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs 2025-08-31T10:08:30,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4 2025-08-31T10:08:30,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4 2025-08-31T10:08:30,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh 2025-08-31T10:08:30,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh 2025-08-31T10:08:30,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc 2025-08-31T10:08:30,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc 2025-08-31T10:08:30,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p 2025-08-31T10:08:30,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p 2025-08-31T10:08:30,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o 2025-08-31T10:08:30,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o 2025-08-31T10:08:30,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn 2025-08-31T10:08:30,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn 2025-08-31T10:08:30,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2 2025-08-31T10:08:30,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2 2025-08-31T10:08:30,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh 2025-08-31T10:08:30,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh 2025-08-31T10:08:30,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2 2025-08-31T10:08:30,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2 2025-08-31T10:08:30,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh 2025-08-31T10:08:30,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh 2025-08-31T10:08:30,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf 2025-08-31T10:08:30,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf 2025-08-31T10:08:30,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c 2025-08-31T10:08:30,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c 2025-08-31T10:08:30,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no 2025-08-31T10:08:30,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no 2025-08-31T10:08:30,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o 2025-08-31T10:08:30,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o 2025-08-31T10:08:30,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al 2025-08-31T10:08:30,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al 2025-08-31T10:08:30,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs 2025-08-31T10:08:30,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs 2025-08-31T10:08:30,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3 2025-08-31T10:08:30,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3 2025-08-31T10:08:30,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn 2025-08-31T10:08:30,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn 2025-08-31T10:08:30,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c 2025-08-31T10:08:30,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c 2025-08-31T10:08:30,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc 2025-08-31T10:08:30,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc 2025-08-31T10:08:30,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be 2025-08-31T10:08:30,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be 2025-08-31T10:08:30,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o 2025-08-31T10:08:30,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o 2025-08-31T10:08:30,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf 2025-08-31T10:08:30,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf 2025-08-31T10:08:30,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6 2025-08-31T10:08:30,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6 2025-08-31T10:08:30,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n 2025-08-31T10:08:30,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n 2025-08-31T10:08:30,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono 2025-08-31T10:08:30,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono 2025-08-31T10:08:30,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif 2025-08-31T10:08:30,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif 2025-08-31T10:08:30,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4 2025-08-31T10:08:30,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4 2025-08-31T10:08:30,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch 2025-08-31T10:08:30,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch 2025-08-31T10:08:30,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde 2025-08-31T10:08:30,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde 2025-08-31T10:08:30,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o 2025-08-31T10:08:30,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o 2025-08-31T10:08:30,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene 2025-08-31T10:08:30,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene 2025-08-31T10:08:30,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2 2025-08-31T10:08:30,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2 2025-08-31T10:08:30,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2 2025-08-31T10:08:30,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2 2025-08-31T10:08:30,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3 2025-08-31T10:08:30,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3 2025-08-31T10:08:30,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s 2025-08-31T10:08:30,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s 2025-08-31T10:08:30,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco 2025-08-31T10:08:30,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco 2025-08-31T10:08:30,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane 2025-08-31T10:08:30,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane 2025-08-31T10:08:30,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2 2025-08-31T10:08:30,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2 2025-08-31T10:08:30,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf 2025-08-31T10:08:30,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf 2025-08-31T10:08:30,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo 2025-08-31T10:08:30,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo 2025-08-31T10:08:30,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4 2025-08-31T10:08:30,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4 2025-08-31T10:08:30,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2 2025-08-31T10:08:30,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2 2025-08-31T10:08:30,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf 2025-08-31T10:08:30,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf 2025-08-31T10:08:30,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2 2025-08-31T10:08:30,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2 2025-08-31T10:08:30,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof 2025-08-31T10:08:30,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof 2025-08-31T10:08:30,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4 2025-08-31T10:08:30,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4 2025-08-31T10:08:30,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f 2025-08-31T10:08:30,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f 2025-08-31T10:08:30,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3 2025-08-31T10:08:30,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3 2025-08-31T10:08:30,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f 2025-08-31T10:08:30,763 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f 2025-08-31T10:08:30,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic 2025-08-31T10:08:30,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic 2025-08-31T10:08:30,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo 2025-08-31T10:08:30,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo 2025-08-31T10:08:30,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene 2025-08-31T10:08:30,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene 2025-08-31T10:08:30,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh 2025-08-31T10:08:30,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh 2025-08-31T10:08:30,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2 2025-08-31T10:08:30,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2 2025-08-31T10:08:30,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2 2025-08-31T10:08:30,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2 2025-08-31T10:08:30,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol 2025-08-31T10:08:30,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol 2025-08-31T10:08:30,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn 2025-08-31T10:08:30,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn 2025-08-31T10:08:30,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2 2025-08-31T10:08:30,792 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2 2025-08-31T10:08:30,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof 2025-08-31T10:08:30,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof 2025-08-31T10:08:30,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2 2025-08-31T10:08:30,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2 2025-08-31T10:08:30,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o 2025-08-31T10:08:30,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o 2025-08-31T10:08:30,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f 2025-08-31T10:08:30,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f 2025-08-31T10:08:30,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4 2025-08-31T10:08:30,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4 2025-08-31T10:08:30,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3 2025-08-31T10:08:30,812 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3 2025-08-31T10:08:30,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2 2025-08-31T10:08:30,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2 2025-08-31T10:08:30,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3 2025-08-31T10:08:30,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3 2025-08-31T10:08:30,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4 2025-08-31T10:08:30,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4 2025-08-31T10:08:30,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi 2025-08-31T10:08:30,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi 2025-08-31T10:08:30,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn 2025-08-31T10:08:30,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn 2025-08-31T10:08:30,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3 2025-08-31T10:08:30,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3 2025-08-31T10:08:30,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn 2025-08-31T10:08:30,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn 2025-08-31T10:08:30,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing 2025-08-31T10:08:30,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing 2025-08-31T10:08:30,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2 2025-08-31T10:08:30,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2 2025-08-31T10:08:30,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3 2025-08-31T10:08:30,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3 2025-08-31T10:08:30,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6 2025-08-31T10:08:30,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6 2025-08-31T10:08:30,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane 2025-08-31T10:08:30,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane 2025-08-31T10:08:30,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2 2025-08-31T10:08:30,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2 2025-08-31T10:08:30,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo 2025-08-31T10:08:30,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo 2025-08-31T10:08:30,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip 2025-08-31T10:08:30,862 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip 2025-08-31T10:08:30,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn 2025-08-31T10:08:30,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn 2025-08-31T10:08:30,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2 2025-08-31T10:08:30,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2 2025-08-31T10:08:30,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so 2025-08-31T10:08:30,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so 2025-08-31T10:08:30,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co 2025-08-31T10:08:30,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co 2025-08-31T10:08:30,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2 2025-08-31T10:08:30,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2 2025-08-31T10:08:30,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2 2025-08-31T10:08:30,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2 2025-08-31T10:08:30,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s 2025-08-31T10:08:30,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s 2025-08-31T10:08:30,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno 2025-08-31T10:08:30,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno 2025-08-31T10:08:30,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch 2025-08-31T10:08:30,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch 2025-08-31T10:08:30,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol 2025-08-31T10:08:30,896 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol 2025-08-31T10:08:30,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of 2025-08-31T10:08:30,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of 2025-08-31T10:08:30,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2 2025-08-31T10:08:30,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2 2025-08-31T10:08:30,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl 2025-08-31T10:08:30,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl 2025-08-31T10:08:30,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b 2025-08-31T10:08:30,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b 2025-08-31T10:08:30,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene 2025-08-31T10:08:30,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene 2025-08-31T10:08:30,914 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh 2025-08-31T10:08:30,915 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh 2025-08-31T10:08:30,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo 2025-08-31T10:08:30,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo 2025-08-31T10:08:30,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl 2025-08-31T10:08:30,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl 2025-08-31T10:08:30,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno 2025-08-31T10:08:30,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno 2025-08-31T10:08:30,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h 2025-08-31T10:08:30,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h 2025-08-31T10:08:30,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco 2025-08-31T10:08:30,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco 2025-08-31T10:08:30,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch 2025-08-31T10:08:30,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch 2025-08-31T10:08:30,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic 2025-08-31T10:08:30,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic 2025-08-31T10:08:30,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf 2025-08-31T10:08:30,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf 2025-08-31T10:08:30,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2 2025-08-31T10:08:30,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2 2025-08-31T10:08:30,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh 2025-08-31T10:08:30,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh 2025-08-31T10:08:30,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof 2025-08-31T10:08:30,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof 2025-08-31T10:08:30,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f 2025-08-31T10:08:30,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f 2025-08-31T10:08:30,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf 2025-08-31T10:08:30,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf 2025-08-31T10:08:30,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o 2025-08-31T10:08:30,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o 2025-08-31T10:08:30,963 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si 2025-08-31T10:08:30,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si 2025-08-31T10:08:30,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co 2025-08-31T10:08:30,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co 2025-08-31T10:08:30,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs 2025-08-31T10:08:30,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs 2025-08-31T10:08:30,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf 2025-08-31T10:08:30,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf 2025-08-31T10:08:30,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2 2025-08-31T10:08:30,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2 2025-08-31T10:08:30,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio 2025-08-31T10:08:30,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio 2025-08-31T10:08:30,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3 2025-08-31T10:08:30,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3 2025-08-31T10:08:30,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2 2025-08-31T10:08:30,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2 2025-08-31T10:08:30,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl 2025-08-31T10:08:30,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl 2025-08-31T10:08:30,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h 2025-08-31T10:08:30,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h 2025-08-31T10:08:30,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6 2025-08-31T10:08:30,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6 2025-08-31T10:08:30,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn 2025-08-31T10:08:30,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn 2025-08-31T10:08:31,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih 2025-08-31T10:08:31,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih 2025-08-31T10:08:31,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3 2025-08-31T10:08:31,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3 2025-08-31T10:08:31,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh 2025-08-31T10:08:31,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh 2025-08-31T10:08:31,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene 2025-08-31T10:08:31,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene 2025-08-31T10:08:31,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3 2025-08-31T10:08:31,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3 2025-08-31T10:08:31,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co 2025-08-31T10:08:31,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co 2025-08-31T10:08:31,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f 2025-08-31T10:08:31,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f 2025-08-31T10:08:31,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane 2025-08-31T10:08:31,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane 2025-08-31T10:08:31,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo 2025-08-31T10:08:31,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo 2025-08-31T10:08:31,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3 2025-08-31T10:08:31,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3 2025-08-31T10:08:31,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh 2025-08-31T10:08:31,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh 2025-08-31T10:08:31,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne 2025-08-31T10:08:31,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne 2025-08-31T10:08:31,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo 2025-08-31T10:08:31,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo 2025-08-31T10:08:31,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2 2025-08-31T10:08:31,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2 2025-08-31T10:08:31,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2 2025-08-31T10:08:31,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2 2025-08-31T10:08:31,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v 2025-08-31T10:08:31,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v 2025-08-31T10:08:31,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh 2025-08-31T10:08:31,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh 2025-08-31T10:08:31,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl 2025-08-31T10:08:31,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl 2025-08-31T10:08:31,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono 2025-08-31T10:08:31,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono 2025-08-31T10:08:31,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2 2025-08-31T10:08:31,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2 2025-08-31T10:08:31,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B 2025-08-31T10:08:31,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B 2025-08-31T10:08:31,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227 2025-08-31T10:08:31,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227 2025-08-31T10:08:31,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147 2025-08-31T10:08:31,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147 2025-08-31T10:08:31,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B 2025-08-31T10:08:31,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B 2025-08-31T10:08:31,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A 2025-08-31T10:08:31,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A 2025-08-31T10:08:31,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150 2025-08-31T10:08:31,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150 2025-08-31T10:08:31,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B 2025-08-31T10:08:31,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B 2025-08-31T10:08:31,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A 2025-08-31T10:08:31,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A 2025-08-31T10:08:31,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B 2025-08-31T10:08:31,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B 2025-08-31T10:08:31,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A 2025-08-31T10:08:31,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A 2025-08-31T10:08:31,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A 2025-08-31T10:08:31,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A 2025-08-31T10:08:31,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B 2025-08-31T10:08:31,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B 2025-08-31T10:08:31,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A 2025-08-31T10:08:31,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A 2025-08-31T10:08:31,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B 2025-08-31T10:08:31,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B 2025-08-31T10:08:31,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187 2025-08-31T10:08:31,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187 2025-08-31T10:08:31,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229 2025-08-31T10:08:31,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229 2025-08-31T10:08:31,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A 2025-08-31T10:08:31,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A 2025-08-31T10:08:31,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B 2025-08-31T10:08:31,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B 2025-08-31T10:08:31,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152 2025-08-31T10:08:31,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152 2025-08-31T10:08:31,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148 2025-08-31T10:08:31,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148 2025-08-31T10:08:31,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A 2025-08-31T10:08:31,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A 2025-08-31T10:08:31,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B 2025-08-31T10:08:31,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B 2025-08-31T10:08:31,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212 2025-08-31T10:08:31,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212 2025-08-31T10:08:31,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B 2025-08-31T10:08:31,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B 2025-08-31T10:08:31,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B 2025-08-31T10:08:31,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B 2025-08-31T10:08:31,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A 2025-08-31T10:08:31,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A 2025-08-31T10:08:31,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228 2025-08-31T10:08:31,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228 2025-08-31T10:08:31,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144 2025-08-31T10:08:31,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144 2025-08-31T10:08:31,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A 2025-08-31T10:08:31,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A 2025-08-31T10:08:31,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B 2025-08-31T10:08:31,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B 2025-08-31T10:08:31,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A 2025-08-31T10:08:31,169 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A 2025-08-31T10:08:31,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231 2025-08-31T10:08:31,172 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231 2025-08-31T10:08:31,174 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A 2025-08-31T10:08:31,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A 2025-08-31T10:08:31,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A 2025-08-31T10:08:31,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A 2025-08-31T10:08:31,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008 2025-08-31T10:08:31,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008 2025-08-31T10:08:31,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B 2025-08-31T10:08:31,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B 2025-08-31T10:08:31,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B 2025-08-31T10:08:31,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B 2025-08-31T10:08:31,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A 2025-08-31T10:08:31,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A 2025-08-31T10:08:31,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230 2025-08-31T10:08:31,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230 2025-08-31T10:08:31,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A 2025-08-31T10:08:31,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A 2025-08-31T10:08:31,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A 2025-08-31T10:08:31,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A 2025-08-31T10:08:31,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A 2025-08-31T10:08:31,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A 2025-08-31T10:08:31,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B 2025-08-31T10:08:31,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B 2025-08-31T10:08:31,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B 2025-08-31T10:08:31,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B 2025-08-31T10:08:31,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202 2025-08-31T10:08:31,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202 2025-08-31T10:08:31,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213 2025-08-31T10:08:31,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213 2025-08-31T10:08:31,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214 2025-08-31T10:08:31,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214 2025-08-31T10:08:31,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B 2025-08-31T10:08:31,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B 2025-08-31T10:08:31,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3 2025-08-31T10:08:31,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3 2025-08-31T10:08:31,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22 2025-08-31T10:08:31,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22 2025-08-31T10:08:31,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3 2025-08-31T10:08:31,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3 2025-08-31T10:08:31,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22 2025-08-31T10:08:31,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22 2025-08-31T10:08:31,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3 2025-08-31T10:08:31,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3 2025-08-31T10:08:31,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2 2025-08-31T10:08:31,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2 2025-08-31T10:08:31,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2 2025-08-31T10:08:31,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2 2025-08-31T10:08:31,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2 2025-08-31T10:08:31,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2 2025-08-31T10:08:31,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2 2025-08-31T10:08:31,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2 2025-08-31T10:08:31,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22 2025-08-31T10:08:31,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22 2025-08-31T10:08:31,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2 2025-08-31T10:08:31,263 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2 2025-08-31T10:08:31,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s 2025-08-31T10:08:31,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s 2025-08-31T10:08:31,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22 2025-08-31T10:08:31,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22 2025-08-31T10:08:31,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s 2025-08-31T10:08:31,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s 2025-08-31T10:08:31,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2 2025-08-31T10:08:31,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2 2025-08-31T10:08:31,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22 2025-08-31T10:08:31,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22 2025-08-31T10:08:31,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22 2025-08-31T10:08:31,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22 2025-08-31T10:08:31,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3 2025-08-31T10:08:31,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3 2025-08-31T10:08:31,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22 2025-08-31T10:08:31,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22 2025-08-31T10:08:31,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2 2025-08-31T10:08:31,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2 2025-08-31T10:08:31,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2 2025-08-31T10:08:31,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2 2025-08-31T10:08:31,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s 2025-08-31T10:08:31,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s 2025-08-31T10:08:31,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3 2025-08-31T10:08:31,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3 2025-08-31T10:08:31,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22 2025-08-31T10:08:31,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22 2025-08-31T10:08:31,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22 2025-08-31T10:08:31,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22 2025-08-31T10:08:31,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2 2025-08-31T10:08:31,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2 2025-08-31T10:08:31,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3 2025-08-31T10:08:31,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3 2025-08-31T10:08:31,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2 2025-08-31T10:08:31,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2 2025-08-31T10:08:31,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22 2025-08-31T10:08:31,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22 2025-08-31T10:08:31,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3 2025-08-31T10:08:31,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3 2025-08-31T10:08:31,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2 2025-08-31T10:08:31,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2 2025-08-31T10:08:31,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh 2025-08-31T10:08:31,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh 2025-08-31T10:08:31,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2 2025-08-31T10:08:31,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2 2025-08-31T10:08:31,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6 2025-08-31T10:08:31,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6 2025-08-31T10:08:31,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2 2025-08-31T10:08:31,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2 2025-08-31T10:08:31,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4 2025-08-31T10:08:31,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4 2025-08-31T10:08:31,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme 2025-08-31T10:08:31,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme 2025-08-31T10:08:31,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2 2025-08-31T10:08:31,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2 2025-08-31T10:08:31,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2 2025-08-31T10:08:31,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2 2025-08-31T10:08:31,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6 2025-08-31T10:08:31,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6 2025-08-31T10:08:31,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3 2025-08-31T10:08:31,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3 2025-08-31T10:08:31,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br 2025-08-31T10:08:31,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br 2025-08-31T10:08:31,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4 2025-08-31T10:08:31,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4 2025-08-31T10:08:31,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl 2025-08-31T10:08:31,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl 2025-08-31T10:08:31,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4 2025-08-31T10:08:31,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4 2025-08-31T10:08:31,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3 2025-08-31T10:08:31,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3 2025-08-31T10:08:31,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6 2025-08-31T10:08:31,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6 2025-08-31T10:08:31,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2 2025-08-31T10:08:31,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2 2025-08-31T10:08:31,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2 2025-08-31T10:08:31,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2 2025-08-31T10:08:31,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2 2025-08-31T10:08:31,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2 2025-08-31T10:08:31,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh 2025-08-31T10:08:31,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh 2025-08-31T10:08:31,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1 2025-08-31T10:08:31,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1 2025-08-31T10:08:31,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14 2025-08-31T10:08:31,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14 2025-08-31T10:08:31,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4 2025-08-31T10:08:31,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4 2025-08-31T10:08:31,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16 2025-08-31T10:08:31,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16 2025-08-31T10:08:31,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11 2025-08-31T10:08:31,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11 2025-08-31T10:08:31,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1 2025-08-31T10:08:31,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1 2025-08-31T10:08:31,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7 2025-08-31T10:08:31,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7 2025-08-31T10:08:31,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9 2025-08-31T10:08:31,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9 2025-08-31T10:08:31,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15 2025-08-31T10:08:31,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15 2025-08-31T10:08:31,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9 2025-08-31T10:08:31,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9 2025-08-31T10:08:31,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3 2025-08-31T10:08:31,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3 2025-08-31T10:08:31,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15 2025-08-31T10:08:31,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15 2025-08-31T10:08:31,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13 2025-08-31T10:08:31,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13 2025-08-31T10:08:31,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4 2025-08-31T10:08:31,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4 2025-08-31T10:08:31,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12 2025-08-31T10:08:31,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12 2025-08-31T10:08:31,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8 2025-08-31T10:08:31,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8 2025-08-31T10:08:31,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6 2025-08-31T10:08:31,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6 2025-08-31T10:08:31,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2 2025-08-31T10:08:31,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2 2025-08-31T10:08:31,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4 2025-08-31T10:08:31,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4 2025-08-31T10:08:31,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1 2025-08-31T10:08:31,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1 2025-08-31T10:08:31,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14 2025-08-31T10:08:31,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14 2025-08-31T10:08:31,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10 2025-08-31T10:08:31,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10 2025-08-31T10:08:31,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3 2025-08-31T10:08:31,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3 2025-08-31T10:08:31,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3 2025-08-31T10:08:31,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3 2025-08-31T10:08:31,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13 2025-08-31T10:08:31,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13 2025-08-31T10:08:31,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4 2025-08-31T10:08:31,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4 2025-08-31T10:08:31,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7 2025-08-31T10:08:31,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7 2025-08-31T10:08:31,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5 2025-08-31T10:08:31,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5 2025-08-31T10:08:31,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5 2025-08-31T10:08:31,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5 2025-08-31T10:08:31,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11 2025-08-31T10:08:31,504 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11 2025-08-31T10:08:31,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8 2025-08-31T10:08:31,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8 2025-08-31T10:08:31,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6 2025-08-31T10:08:31,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6 2025-08-31T10:08:31,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10 2025-08-31T10:08:31,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10 2025-08-31T10:08:31,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2 2025-08-31T10:08:31,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2 2025-08-31T10:08:31,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5 2025-08-31T10:08:31,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5 2025-08-31T10:08:31,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12 2025-08-31T10:08:31,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12 2025-08-31T10:08:31,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6 2025-08-31T10:08:31,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6 2025-08-31T10:08:31,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2 2025-08-31T10:08:31,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2 2025-08-31T10:08:31,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8 2025-08-31T10:08:31,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8 2025-08-31T10:08:31,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h 2025-08-31T10:08:31,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h 2025-08-31T10:08:31,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4 2025-08-31T10:08:31,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4 2025-08-31T10:08:31,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+ 2025-08-31T10:08:31,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+ 2025-08-31T10:08:31,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4 2025-08-31T10:08:31,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4 2025-08-31T10:08:31,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2 2025-08-31T10:08:31,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2 2025-08-31T10:08:31,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me 2025-08-31T10:08:31,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me 2025-08-31T10:08:31,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2 2025-08-31T10:08:31,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2 2025-08-31T10:08:31,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+ 2025-08-31T10:08:31,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+ 2025-08-31T10:08:31,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2 2025-08-31T10:08:31,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2 2025-08-31T10:08:31,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c 2025-08-31T10:08:31,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c 2025-08-31T10:08:31,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2 2025-08-31T10:08:31,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2 2025-08-31T10:08:31,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch 2025-08-31T10:08:31,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch 2025-08-31T10:08:31,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n 2025-08-31T10:08:31,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n 2025-08-31T10:08:31,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2 2025-08-31T10:08:31,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2 2025-08-31T10:08:31,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me 2025-08-31T10:08:31,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me 2025-08-31T10:08:31,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8 2025-08-31T10:08:31,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8 2025-08-31T10:08:31,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o 2025-08-31T10:08:31,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o 2025-08-31T10:08:31,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4 2025-08-31T10:08:31,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4 2025-08-31T10:08:31,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1 2025-08-31T10:08:31,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1 2025-08-31T10:08:31,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o 2025-08-31T10:08:31,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o 2025-08-31T10:08:31,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4 2025-08-31T10:08:31,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4 2025-08-31T10:08:31,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o 2025-08-31T10:08:31,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o 2025-08-31T10:08:31,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3 2025-08-31T10:08:31,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3 2025-08-31T10:08:31,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o 2025-08-31T10:08:31,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o 2025-08-31T10:08:31,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o 2025-08-31T10:08:31,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o 2025-08-31T10:08:31,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8 2025-08-31T10:08:31,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8 2025-08-31T10:08:31,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1 2025-08-31T10:08:31,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1 2025-08-31T10:08:31,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9 2025-08-31T10:08:31,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9 2025-08-31T10:08:31,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o 2025-08-31T10:08:31,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o 2025-08-31T10:08:31,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5 2025-08-31T10:08:31,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5 2025-08-31T10:08:31,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2 2025-08-31T10:08:31,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2 2025-08-31T10:08:31,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7 2025-08-31T10:08:31,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7 2025-08-31T10:08:31,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6 2025-08-31T10:08:31,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6 2025-08-31T10:08:31,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o 2025-08-31T10:08:31,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o 2025-08-31T10:08:31,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o 2025-08-31T10:08:31,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o 2025-08-31T10:08:31,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3 2025-08-31T10:08:31,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3 2025-08-31T10:08:31,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o 2025-08-31T10:08:31,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o 2025-08-31T10:08:31,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6 2025-08-31T10:08:31,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6 2025-08-31T10:08:31,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o 2025-08-31T10:08:31,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o 2025-08-31T10:08:31,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2 2025-08-31T10:08:31,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2 2025-08-31T10:08:31,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8 2025-08-31T10:08:31,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8 2025-08-31T10:08:31,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9 2025-08-31T10:08:31,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9 2025-08-31T10:08:31,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5 2025-08-31T10:08:31,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5 2025-08-31T10:08:31,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7 2025-08-31T10:08:31,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7 2025-08-31T10:08:31,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02 2025-08-31T10:08:31,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02 2025-08-31T10:08:31,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23 2025-08-31T10:08:31,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23 2025-08-31T10:08:31,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08 2025-08-31T10:08:31,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08 2025-08-31T10:08:31,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2 2025-08-31T10:08:31,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2 2025-08-31T10:08:31,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30 2025-08-31T10:08:31,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30 2025-08-31T10:08:31,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2 2025-08-31T10:08:31,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2 2025-08-31T10:08:31,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29 2025-08-31T10:08:31,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29 2025-08-31T10:08:31,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06 2025-08-31T10:08:31,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06 2025-08-31T10:08:31,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3 2025-08-31T10:08:31,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3 2025-08-31T10:08:31,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2 2025-08-31T10:08:31,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2 2025-08-31T10:08:31,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42 2025-08-31T10:08:31,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42 2025-08-31T10:08:31,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10 2025-08-31T10:08:31,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10 2025-08-31T10:08:31,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34 2025-08-31T10:08:31,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34 2025-08-31T10:08:31,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2 2025-08-31T10:08:31,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2 2025-08-31T10:08:31,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22 2025-08-31T10:08:31,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22 2025-08-31T10:08:31,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18 2025-08-31T10:08:31,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18 2025-08-31T10:08:31,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16 2025-08-31T10:08:31,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16 2025-08-31T10:08:31,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04 2025-08-31T10:08:31,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04 2025-08-31T10:08:31,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37 2025-08-31T10:08:31,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37 2025-08-31T10:08:31,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40 2025-08-31T10:08:31,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40 2025-08-31T10:08:31,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09 2025-08-31T10:08:31,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09 2025-08-31T10:08:31,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28 2025-08-31T10:08:31,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28 2025-08-31T10:08:31,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36 2025-08-31T10:08:31,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36 2025-08-31T10:08:31,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21 2025-08-31T10:08:31,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21 2025-08-31T10:08:31,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13 2025-08-31T10:08:31,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13 2025-08-31T10:08:31,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4 2025-08-31T10:08:31,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4 2025-08-31T10:08:31,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25 2025-08-31T10:08:31,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25 2025-08-31T10:08:31,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32 2025-08-31T10:08:31,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32 2025-08-31T10:08:31,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41 2025-08-31T10:08:31,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41 2025-08-31T10:08:31,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14 2025-08-31T10:08:31,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14 2025-08-31T10:08:31,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15 2025-08-31T10:08:31,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15 2025-08-31T10:08:31,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2 2025-08-31T10:08:31,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2 2025-08-31T10:08:31,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38 2025-08-31T10:08:31,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38 2025-08-31T10:08:31,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24 2025-08-31T10:08:31,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24 2025-08-31T10:08:31,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19 2025-08-31T10:08:31,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19 2025-08-31T10:08:31,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01 2025-08-31T10:08:31,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01 2025-08-31T10:08:31,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2 2025-08-31T10:08:31,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2 2025-08-31T10:08:31,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31 2025-08-31T10:08:31,808 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31 2025-08-31T10:08:31,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4 2025-08-31T10:08:31,812 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4 2025-08-31T10:08:31,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26 2025-08-31T10:08:31,815 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26 2025-08-31T10:08:31,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03 2025-08-31T10:08:31,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03 2025-08-31T10:08:31,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20 2025-08-31T10:08:31,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20 2025-08-31T10:08:31,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43 2025-08-31T10:08:31,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43 2025-08-31T10:08:31,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH 2025-08-31T10:08:31,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH 2025-08-31T10:08:31,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33 2025-08-31T10:08:31,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33 2025-08-31T10:08:31,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12 2025-08-31T10:08:31,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12 2025-08-31T10:08:31,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17 2025-08-31T10:08:31,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17 2025-08-31T10:08:31,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH 2025-08-31T10:08:31,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH 2025-08-31T10:08:31,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35 2025-08-31T10:08:31,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35 2025-08-31T10:08:31,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2 2025-08-31T10:08:31,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2 2025-08-31T10:08:31,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39 2025-08-31T10:08:31,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39 2025-08-31T10:08:31,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2 2025-08-31T10:08:31,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2 2025-08-31T10:08:31,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05 2025-08-31T10:08:31,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05 2025-08-31T10:08:31,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3 2025-08-31T10:08:31,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3 2025-08-31T10:08:31,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2 2025-08-31T10:08:31,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2 2025-08-31T10:08:31,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07 2025-08-31T10:08:31,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07 2025-08-31T10:08:31,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11 2025-08-31T10:08:31,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11 2025-08-31T10:08:31,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27 2025-08-31T10:08:31,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27 2025-08-31T10:08:31,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3 2025-08-31T10:08:31,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3 2025-08-31T10:08:31,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar 2025-08-31T10:08:31,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar 2025-08-31T10:08:31,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2 2025-08-31T10:08:31,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2 2025-08-31T10:08:31,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr 2025-08-31T10:08:31,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr 2025-08-31T10:08:31,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr 2025-08-31T10:08:31,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr 2025-08-31T10:08:31,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2 2025-08-31T10:08:31,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2 2025-08-31T10:08:31,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar 2025-08-31T10:08:31,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar 2025-08-31T10:08:31,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2 2025-08-31T10:08:31,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2 2025-08-31T10:08:31,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf 2025-08-31T10:08:31,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf 2025-08-31T10:08:31,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne 2025-08-31T10:08:31,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne 2025-08-31T10:08:31,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3 2025-08-31T10:08:31,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3 2025-08-31T10:08:31,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr 2025-08-31T10:08:31,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr 2025-08-31T10:08:31,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne 2025-08-31T10:08:31,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne 2025-08-31T10:08:31,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4 2025-08-31T10:08:31,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4 2025-08-31T10:08:31,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz 2025-08-31T10:08:31,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz 2025-08-31T10:08:31,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4 2025-08-31T10:08:31,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4 2025-08-31T10:08:31,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe 2025-08-31T10:08:31,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe 2025-08-31T10:08:31,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2 2025-08-31T10:08:31,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2 2025-08-31T10:08:31,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6 2025-08-31T10:08:31,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6 2025-08-31T10:08:31,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe 2025-08-31T10:08:31,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe 2025-08-31T10:08:31,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3 2025-08-31T10:08:31,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3 2025-08-31T10:08:31,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr 2025-08-31T10:08:31,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr 2025-08-31T10:08:31,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6 2025-08-31T10:08:31,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6 2025-08-31T10:08:31,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne 2025-08-31T10:08:31,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne 2025-08-31T10:08:31,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar 2025-08-31T10:08:31,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar 2025-08-31T10:08:31,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr 2025-08-31T10:08:31,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr 2025-08-31T10:08:31,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4 2025-08-31T10:08:31,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4 2025-08-31T10:08:31,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3 2025-08-31T10:08:31,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3 2025-08-31T10:08:31,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o 2025-08-31T10:08:31,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o 2025-08-31T10:08:31,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3 2025-08-31T10:08:31,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3 2025-08-31T10:08:31,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2 2025-08-31T10:08:31,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2 2025-08-31T10:08:31,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl 2025-08-31T10:08:31,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl 2025-08-31T10:08:31,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o 2025-08-31T10:08:31,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o 2025-08-31T10:08:31,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi 2025-08-31T10:08:31,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi 2025-08-31T10:08:31,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3 2025-08-31T10:08:31,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3 2025-08-31T10:08:32,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3 2025-08-31T10:08:32,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3 2025-08-31T10:08:32,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi 2025-08-31T10:08:32,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi 2025-08-31T10:08:32,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o 2025-08-31T10:08:32,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o 2025-08-31T10:08:32,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr 2025-08-31T10:08:32,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr 2025-08-31T10:08:32,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2 2025-08-31T10:08:32,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2 2025-08-31T10:08:32,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi 2025-08-31T10:08:32,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi 2025-08-31T10:08:32,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s 2025-08-31T10:08:32,021 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s 2025-08-31T10:08:32,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s 2025-08-31T10:08:32,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s 2025-08-31T10:08:32,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr 2025-08-31T10:08:32,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr 2025-08-31T10:08:32,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr 2025-08-31T10:08:32,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr 2025-08-31T10:08:32,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2 2025-08-31T10:08:32,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2 2025-08-31T10:08:32,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi 2025-08-31T10:08:32,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi 2025-08-31T10:08:32,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl 2025-08-31T10:08:32,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl 2025-08-31T10:08:32,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s 2025-08-31T10:08:32,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s 2025-08-31T10:08:32,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3 2025-08-31T10:08:32,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3 2025-08-31T10:08:32,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2 2025-08-31T10:08:32,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2 2025-08-31T10:08:32,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2 2025-08-31T10:08:32,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2 2025-08-31T10:08:32,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3 2025-08-31T10:08:32,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3 2025-08-31T10:08:32,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl 2025-08-31T10:08:32,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl 2025-08-31T10:08:32,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi 2025-08-31T10:08:32,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi 2025-08-31T10:08:32,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr 2025-08-31T10:08:32,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr 2025-08-31T10:08:32,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o 2025-08-31T10:08:32,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o 2025-08-31T10:08:32,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o 2025-08-31T10:08:32,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o 2025-08-31T10:08:32,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s 2025-08-31T10:08:32,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s 2025-08-31T10:08:32,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl 2025-08-31T10:08:32,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl 2025-08-31T10:08:32,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl 2025-08-31T10:08:32,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl 2025-08-31T10:08:32,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3 2025-08-31T10:08:32,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3 2025-08-31T10:08:32,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2 2025-08-31T10:08:32,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2 2025-08-31T10:08:32,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3 2025-08-31T10:08:32,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3 2025-08-31T10:08:32,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2 2025-08-31T10:08:32,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2 2025-08-31T10:08:32,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2 2025-08-31T10:08:32,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2 2025-08-31T10:08:32,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1 2025-08-31T10:08:32,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1 2025-08-31T10:08:32,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1 2025-08-31T10:08:32,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1 2025-08-31T10:08:32,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1 2025-08-31T10:08:32,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1 2025-08-31T10:08:32,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3 2025-08-31T10:08:32,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3 2025-08-31T10:08:32,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1 2025-08-31T10:08:32,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1 2025-08-31T10:08:32,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2 2025-08-31T10:08:32,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2 2025-08-31T10:08:32,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3 2025-08-31T10:08:32,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3 2025-08-31T10:08:32,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2 2025-08-31T10:08:32,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2 2025-08-31T10:08:32,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2 2025-08-31T10:08:32,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2 2025-08-31T10:08:32,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2 2025-08-31T10:08:32,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2 2025-08-31T10:08:32,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4 2025-08-31T10:08:32,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4 2025-08-31T10:08:32,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1 2025-08-31T10:08:32,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1 2025-08-31T10:08:32,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2 2025-08-31T10:08:32,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2 2025-08-31T10:08:32,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2 2025-08-31T10:08:32,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2 2025-08-31T10:08:32,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3 2025-08-31T10:08:32,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3 2025-08-31T10:08:32,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1 2025-08-31T10:08:32,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1 2025-08-31T10:08:32,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4 2025-08-31T10:08:32,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4 2025-08-31T10:08:32,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1 2025-08-31T10:08:32,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1 2025-08-31T10:08:32,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1 2025-08-31T10:08:32,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1 2025-08-31T10:08:32,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3 2025-08-31T10:08:32,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3 2025-08-31T10:08:32,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2 2025-08-31T10:08:32,169 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2 2025-08-31T10:08:32,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2 2025-08-31T10:08:32,172 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2 2025-08-31T10:08:32,174 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1 2025-08-31T10:08:32,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1 2025-08-31T10:08:32,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1 2025-08-31T10:08:32,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1 2025-08-31T10:08:32,181 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p 2025-08-31T10:08:32,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p 2025-08-31T10:08:32,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e 2025-08-31T10:08:32,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e 2025-08-31T10:08:32,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e 2025-08-31T10:08:32,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e 2025-08-31T10:08:32,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p 2025-08-31T10:08:32,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p 2025-08-31T10:08:32,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e 2025-08-31T10:08:32,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e 2025-08-31T10:08:32,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p 2025-08-31T10:08:32,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p 2025-08-31T10:08:32,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e 2025-08-31T10:08:32,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e 2025-08-31T10:08:32,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e 2025-08-31T10:08:32,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e 2025-08-31T10:08:32,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p 2025-08-31T10:08:32,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p 2025-08-31T10:08:32,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e 2025-08-31T10:08:32,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e 2025-08-31T10:08:32,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p 2025-08-31T10:08:32,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p 2025-08-31T10:08:32,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p 2025-08-31T10:08:32,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p 2025-08-31T10:08:32,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p 2025-08-31T10:08:32,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p 2025-08-31T10:08:32,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e 2025-08-31T10:08:32,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e 2025-08-31T10:08:32,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e 2025-08-31T10:08:32,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e 2025-08-31T10:08:32,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p 2025-08-31T10:08:32,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p 2025-08-31T10:08:32,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e 2025-08-31T10:08:32,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e 2025-08-31T10:08:32,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p 2025-08-31T10:08:32,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p 2025-08-31T10:08:32,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e 2025-08-31T10:08:32,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e 2025-08-31T10:08:32,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e 2025-08-31T10:08:32,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e 2025-08-31T10:08:32,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e 2025-08-31T10:08:32,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e 2025-08-31T10:08:32,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e 2025-08-31T10:08:32,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e 2025-08-31T10:08:32,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e 2025-08-31T10:08:32,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e 2025-08-31T10:08:32,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e 2025-08-31T10:08:32,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e 2025-08-31T10:08:32,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e 2025-08-31T10:08:32,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e 2025-08-31T10:08:32,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p 2025-08-31T10:08:32,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p 2025-08-31T10:08:32,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e 2025-08-31T10:08:32,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e 2025-08-31T10:08:32,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p 2025-08-31T10:08:32,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p 2025-08-31T10:08:32,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p 2025-08-31T10:08:32,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p 2025-08-31T10:08:32,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p 2025-08-31T10:08:32,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p 2025-08-31T10:08:32,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e 2025-08-31T10:08:32,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e 2025-08-31T10:08:32,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p 2025-08-31T10:08:32,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p 2025-08-31T10:08:32,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p 2025-08-31T10:08:32,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p 2025-08-31T10:08:32,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p 2025-08-31T10:08:32,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p 2025-08-31T10:08:32,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e 2025-08-31T10:08:32,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e 2025-08-31T10:08:32,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p 2025-08-31T10:08:32,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p 2025-08-31T10:08:32,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e 2025-08-31T10:08:32,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e 2025-08-31T10:08:32,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p 2025-08-31T10:08:32,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p 2025-08-31T10:08:32,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p 2025-08-31T10:08:32,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p 2025-08-31T10:08:32,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p 2025-08-31T10:08:32,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p 2025-08-31T10:08:32,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p 2025-08-31T10:08:32,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p 2025-08-31T10:08:32,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e 2025-08-31T10:08:32,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e 2025-08-31T10:08:32,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p 2025-08-31T10:08:32,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p 2025-08-31T10:08:32,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e 2025-08-31T10:08:32,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e 2025-08-31T10:08:32,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p 2025-08-31T10:08:32,354 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p 2025-08-31T10:08:32,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p 2025-08-31T10:08:32,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p 2025-08-31T10:08:32,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e 2025-08-31T10:08:32,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e 2025-08-31T10:08:32,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e 2025-08-31T10:08:32,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e 2025-08-31T10:08:32,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23 2025-08-31T10:08:32,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23 2025-08-31T10:08:32,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A 2025-08-31T10:08:32,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A 2025-08-31T10:08:32,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A 2025-08-31T10:08:32,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A 2025-08-31T10:08:32,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22 2025-08-31T10:08:32,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22 2025-08-31T10:08:32,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A 2025-08-31T10:08:32,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A 2025-08-31T10:08:32,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B 2025-08-31T10:08:32,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B 2025-08-31T10:08:32,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25 2025-08-31T10:08:32,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25 2025-08-31T10:08:32,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A 2025-08-31T10:08:32,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A 2025-08-31T10:08:32,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24 2025-08-31T10:08:32,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24 2025-08-31T10:08:32,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B 2025-08-31T10:08:32,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B 2025-08-31T10:08:32,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26 2025-08-31T10:08:32,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26 2025-08-31T10:08:32,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A 2025-08-31T10:08:32,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A 2025-08-31T10:08:32,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B 2025-08-31T10:08:32,420 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B 2025-08-31T10:08:32,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B 2025-08-31T10:08:32,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B 2025-08-31T10:08:32,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A 2025-08-31T10:08:32,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A 2025-08-31T10:08:32,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B 2025-08-31T10:08:32,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B 2025-08-31T10:08:32,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B 2025-08-31T10:08:32,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B 2025-08-31T10:08:32,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27 2025-08-31T10:08:32,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27 2025-08-31T10:08:32,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F 2025-08-31T10:08:32,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F 2025-08-31T10:08:32,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3 2025-08-31T10:08:32,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3 2025-08-31T10:08:32,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H 2025-08-31T10:08:32,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H 2025-08-31T10:08:32,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3 2025-08-31T10:08:32,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3 2025-08-31T10:08:32,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3 2025-08-31T10:08:32,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3 2025-08-31T10:08:32,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2 2025-08-31T10:08:32,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2 2025-08-31T10:08:32,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2 2025-08-31T10:08:32,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2 2025-08-31T10:08:32,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz 2025-08-31T10:08:32,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz 2025-08-31T10:08:32,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3 2025-08-31T10:08:32,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3 2025-08-31T10:08:32,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut 2025-08-31T10:08:32,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut 2025-08-31T10:08:32,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3 2025-08-31T10:08:32,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3 2025-08-31T10:08:32,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3 2025-08-31T10:08:32,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3 2025-08-31T10:08:32,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch 2025-08-31T10:08:32,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch 2025-08-31T10:08:32,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3 2025-08-31T10:08:32,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3 2025-08-31T10:08:32,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh 2025-08-31T10:08:32,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh 2025-08-31T10:08:32,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3 2025-08-31T10:08:32,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3 2025-08-31T10:08:32,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl 2025-08-31T10:08:32,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl 2025-08-31T10:08:32,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3 2025-08-31T10:08:32,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3 2025-08-31T10:08:32,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3 2025-08-31T10:08:32,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3 2025-08-31T10:08:32,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3 2025-08-31T10:08:32,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3 2025-08-31T10:08:32,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2 2025-08-31T10:08:32,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2 2025-08-31T10:08:32,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5 2025-08-31T10:08:32,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5 2025-08-31T10:08:32,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he 2025-08-31T10:08:32,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he 2025-08-31T10:08:32,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75 2025-08-31T10:08:32,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75 2025-08-31T10:08:32,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75 2025-08-31T10:08:32,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75 2025-08-31T10:08:32,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0 2025-08-31T10:08:32,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0 2025-08-31T10:08:32,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o 2025-08-31T10:08:32,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o 2025-08-31T10:08:32,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3 2025-08-31T10:08:32,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3 2025-08-31T10:08:32,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0 2025-08-31T10:08:32,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0 2025-08-31T10:08:32,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75 2025-08-31T10:08:32,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75 2025-08-31T10:08:32,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0 2025-08-31T10:08:32,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0 2025-08-31T10:08:32,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+ 2025-08-31T10:08:32,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+ 2025-08-31T10:08:32,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25 2025-08-31T10:08:32,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25 2025-08-31T10:08:32,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5 2025-08-31T10:08:32,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5 2025-08-31T10:08:32,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25 2025-08-31T10:08:32,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25 2025-08-31T10:08:32,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25 2025-08-31T10:08:32,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25 2025-08-31T10:08:32,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0 2025-08-31T10:08:32,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0 2025-08-31T10:08:32,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h 2025-08-31T10:08:32,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h 2025-08-31T10:08:32,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+ 2025-08-31T10:08:32,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+ 2025-08-31T10:08:32,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5 2025-08-31T10:08:32,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5 2025-08-31T10:08:32,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25 2025-08-31T10:08:32,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25 2025-08-31T10:08:32,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5 2025-08-31T10:08:32,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5 2025-08-31T10:08:32,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75 2025-08-31T10:08:32,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75 2025-08-31T10:08:32,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+ 2025-08-31T10:08:32,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+ 2025-08-31T10:08:32,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p 2025-08-31T10:08:32,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p 2025-08-31T10:08:32,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m 2025-08-31T10:08:32,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m 2025-08-31T10:08:32,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a 2025-08-31T10:08:32,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a 2025-08-31T10:08:32,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z 2025-08-31T10:08:32,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z 2025-08-31T10:08:32,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b 2025-08-31T10:08:32,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b 2025-08-31T10:08:32,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e 2025-08-31T10:08:32,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e 2025-08-31T10:08:32,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a 2025-08-31T10:08:32,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a 2025-08-31T10:08:32,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h 2025-08-31T10:08:32,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h 2025-08-31T10:08:32,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a 2025-08-31T10:08:32,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a 2025-08-31T10:08:32,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a 2025-08-31T10:08:32,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a 2025-08-31T10:08:32,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d 2025-08-31T10:08:32,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d 2025-08-31T10:08:32,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g 2025-08-31T10:08:32,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g 2025-08-31T10:08:32,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p 2025-08-31T10:08:32,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p 2025-08-31T10:08:32,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a 2025-08-31T10:08:32,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a 2025-08-31T10:08:32,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a 2025-08-31T10:08:32,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a 2025-08-31T10:08:32,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f 2025-08-31T10:08:32,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f 2025-08-31T10:08:32,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b 2025-08-31T10:08:32,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b 2025-08-31T10:08:32,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p 2025-08-31T10:08:32,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p 2025-08-31T10:08:32,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c 2025-08-31T10:08:32,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c 2025-08-31T10:08:32,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b 2025-08-31T10:08:32,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b 2025-08-31T10:08:32,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d 2025-08-31T10:08:32,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d 2025-08-31T10:08:32,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p 2025-08-31T10:08:32,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p 2025-08-31T10:08:32,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b 2025-08-31T10:08:32,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b 2025-08-31T10:08:32,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa 2025-08-31T10:08:32,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa 2025-08-31T10:08:32,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4 2025-08-31T10:08:32,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4 2025-08-31T10:08:32,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8 2025-08-31T10:08:32,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8 2025-08-31T10:08:32,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3 2025-08-31T10:08:32,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3 2025-08-31T10:08:32,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10 2025-08-31T10:08:32,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10 2025-08-31T10:08:32,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7 2025-08-31T10:08:32,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7 2025-08-31T10:08:32,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6 2025-08-31T10:08:32,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6 2025-08-31T10:08:32,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1 2025-08-31T10:08:32,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1 2025-08-31T10:08:32,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2 2025-08-31T10:08:32,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2 2025-08-31T10:08:32,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5 2025-08-31T10:08:32,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5 2025-08-31T10:08:32,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9 2025-08-31T10:08:32,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9 2025-08-31T10:08:32,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a 2025-08-31T10:08:32,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a 2025-08-31T10:08:32,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b 2025-08-31T10:08:32,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b 2025-08-31T10:08:32,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a 2025-08-31T10:08:32,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a 2025-08-31T10:08:32,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a 2025-08-31T10:08:32,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a 2025-08-31T10:08:32,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b 2025-08-31T10:08:32,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b 2025-08-31T10:08:32,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b 2025-08-31T10:08:32,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b 2025-08-31T10:08:32,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b 2025-08-31T10:08:32,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b 2025-08-31T10:08:32,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a 2025-08-31T10:08:32,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a 2025-08-31T10:08:32,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a 2025-08-31T10:08:32,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a 2025-08-31T10:08:32,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a 2025-08-31T10:08:32,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a 2025-08-31T10:08:32,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c 2025-08-31T10:08:32,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c 2025-08-31T10:08:33,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d 2025-08-31T10:08:33,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d 2025-08-31T10:08:33,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d 2025-08-31T10:08:33,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d 2025-08-31T10:08:33,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a 2025-08-31T10:08:33,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a 2025-08-31T10:08:33,010 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a 2025-08-31T10:08:33,011 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a 2025-08-31T10:08:33,013 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a 2025-08-31T10:08:33,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a 2025-08-31T10:08:33,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b 2025-08-31T10:08:33,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b 2025-08-31T10:08:33,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b 2025-08-31T10:08:33,021 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b 2025-08-31T10:08:33,023 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b 2025-08-31T10:08:33,024 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b 2025-08-31T10:08:33,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a 2025-08-31T10:08:33,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a 2025-08-31T10:08:33,029 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b 2025-08-31T10:08:33,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b 2025-08-31T10:08:33,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c 2025-08-31T10:08:33,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c 2025-08-31T10:08:33,036 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b 2025-08-31T10:08:33,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b 2025-08-31T10:08:33,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b 2025-08-31T10:08:33,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b 2025-08-31T10:08:33,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c 2025-08-31T10:08:33,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c 2025-08-31T10:08:33,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2 2025-08-31T10:08:33,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2 2025-08-31T10:08:33,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene 2025-08-31T10:08:33,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene 2025-08-31T10:08:33,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11 2025-08-31T10:08:33,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11 2025-08-31T10:08:33,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S 2025-08-31T10:08:33,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S 2025-08-31T10:08:33,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H 2025-08-31T10:08:33,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H 2025-08-31T10:08:33,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane 2025-08-31T10:08:33,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane 2025-08-31T10:08:33,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane 2025-08-31T10:08:33,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane 2025-08-31T10:08:33,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole 2025-08-31T10:08:33,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole 2025-08-31T10:08:33,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H 2025-08-31T10:08:33,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H 2025-08-31T10:08:33,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3 2025-08-31T10:08:33,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3 2025-08-31T10:08:33,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2 2025-08-31T10:08:33,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2 2025-08-31T10:08:33,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol 2025-08-31T10:08:33,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol 2025-08-31T10:08:33,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole 2025-08-31T10:08:33,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole 2025-08-31T10:08:33,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2 2025-08-31T10:08:33,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2 2025-08-31T10:08:33,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene 2025-08-31T10:08:33,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene 2025-08-31T10:08:33,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole 2025-08-31T10:08:33,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole 2025-08-31T10:08:33,098 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH 2025-08-31T10:08:33,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH 2025-08-31T10:08:33,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine 2025-08-31T10:08:33,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine 2025-08-31T10:08:33,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene 2025-08-31T10:08:33,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene 2025-08-31T10:08:33,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2 2025-08-31T10:08:33,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2 2025-08-31T10:08:33,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane 2025-08-31T10:08:33,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane 2025-08-31T10:08:33,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene 2025-08-31T10:08:33,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene 2025-08-31T10:08:33,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO 2025-08-31T10:08:33,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO 2025-08-31T10:08:33,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane 2025-08-31T10:08:33,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane 2025-08-31T10:08:33,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2 2025-08-31T10:08:33,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2 2025-08-31T10:08:33,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2 2025-08-31T10:08:33,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2 2025-08-31T10:08:33,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran 2025-08-31T10:08:33,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran 2025-08-31T10:08:33,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN 2025-08-31T10:08:33,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN 2025-08-31T10:08:33,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane 2025-08-31T10:08:33,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane 2025-08-31T10:08:33,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2 2025-08-31T10:08:33,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2 2025-08-31T10:08:33,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole 2025-08-31T10:08:33,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole 2025-08-31T10:08:33,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene 2025-08-31T10:08:33,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene 2025-08-31T10:08:33,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2 2025-08-31T10:08:33,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2 2025-08-31T10:08:33,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO 2025-08-31T10:08:33,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO 2025-08-31T10:08:33,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol 2025-08-31T10:08:33,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol 2025-08-31T10:08:33,162 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene 2025-08-31T10:08:33,163 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene 2025-08-31T10:08:33,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2 2025-08-31T10:08:33,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2 2025-08-31T10:08:33,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3 2025-08-31T10:08:33,169 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3 2025-08-31T10:08:33,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone 2025-08-31T10:08:33,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone 2025-08-31T10:08:33,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone 2025-08-31T10:08:33,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone 2025-08-31T10:08:33,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2 2025-08-31T10:08:33,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2 2025-08-31T10:08:33,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne 2025-08-31T10:08:33,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne 2025-08-31T10:08:33,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane 2025-08-31T10:08:33,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane 2025-08-31T10:08:33,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H 2025-08-31T10:08:33,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H 2025-08-31T10:08:33,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine 2025-08-31T10:08:33,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine 2025-08-31T10:08:33,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2 2025-08-31T10:08:33,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2 2025-08-31T10:08:33,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2 2025-08-31T10:08:33,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2 2025-08-31T10:08:33,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2 2025-08-31T10:08:33,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2 2025-08-31T10:08:33,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2 2025-08-31T10:08:33,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2 2025-08-31T10:08:33,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene 2025-08-31T10:08:33,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene 2025-08-31T10:08:33,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO 2025-08-31T10:08:33,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO 2025-08-31T10:08:33,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2 2025-08-31T10:08:33,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2 2025-08-31T10:08:33,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne 2025-08-31T10:08:33,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne 2025-08-31T10:08:33,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane 2025-08-31T10:08:33,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane 2025-08-31T10:08:33,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3 2025-08-31T10:08:33,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3 2025-08-31T10:08:33,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2 2025-08-31T10:08:33,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2 2025-08-31T10:08:33,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne 2025-08-31T10:08:33,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne 2025-08-31T10:08:33,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO 2025-08-31T10:08:33,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO 2025-08-31T10:08:33,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O 2025-08-31T10:08:33,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O 2025-08-31T10:08:33,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane 2025-08-31T10:08:33,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane 2025-08-31T10:08:33,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2 2025-08-31T10:08:33,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2 2025-08-31T10:08:33,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2025-08-31T10:08:33,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2025-08-31T10:08:33,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3 2025-08-31T10:08:33,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3 2025-08-31T10:08:33,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene 2025-08-31T10:08:33,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene 2025-08-31T10:08:33,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane 2025-08-31T10:08:33,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane 2025-08-31T10:08:33,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne 2025-08-31T10:08:33,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne 2025-08-31T10:08:33,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol 2025-08-31T10:08:33,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol 2025-08-31T10:08:33,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane 2025-08-31T10:08:33,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane 2025-08-31T10:08:33,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H 2025-08-31T10:08:33,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H 2025-08-31T10:08:33,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione 2025-08-31T10:08:33,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione 2025-08-31T10:08:33,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H 2025-08-31T10:08:33,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H 2025-08-31T10:08:33,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene 2025-08-31T10:08:33,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene 2025-08-31T10:08:33,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN 2025-08-31T10:08:33,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN 2025-08-31T10:08:33,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran 2025-08-31T10:08:33,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran 2025-08-31T10:08:33,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene 2025-08-31T10:08:33,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene 2025-08-31T10:08:33,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO 2025-08-31T10:08:33,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO 2025-08-31T10:08:33,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl 2025-08-31T10:08:33,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl 2025-08-31T10:08:33,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3 2025-08-31T10:08:33,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3 2025-08-31T10:08:33,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene 2025-08-31T10:08:33,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene 2025-08-31T10:08:33,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene 2025-08-31T10:08:33,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene 2025-08-31T10:08:33,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO 2025-08-31T10:08:33,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO 2025-08-31T10:08:33,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2 2025-08-31T10:08:33,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2 2025-08-31T10:08:33,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2 2025-08-31T10:08:33,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2 2025-08-31T10:08:33,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O 2025-08-31T10:08:33,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O 2025-08-31T10:08:33,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol 2025-08-31T10:08:33,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol 2025-08-31T10:08:33,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2025-08-31T10:08:33,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2025-08-31T10:08:33,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO 2025-08-31T10:08:33,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO 2025-08-31T10:08:33,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5 2025-08-31T10:08:33,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5 2025-08-31T10:08:33,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29 2025-08-31T10:08:33,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29 2025-08-31T10:08:33,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45 2025-08-31T10:08:33,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45 2025-08-31T10:08:33,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1 2025-08-31T10:08:33,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1 2025-08-31T10:08:33,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13 2025-08-31T10:08:33,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13 2025-08-31T10:08:33,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35 2025-08-31T10:08:33,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35 2025-08-31T10:08:33,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40 2025-08-31T10:08:33,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40 2025-08-31T10:08:33,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17 2025-08-31T10:08:33,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17 2025-08-31T10:08:33,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18 2025-08-31T10:08:33,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18 2025-08-31T10:08:33,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17 2025-08-31T10:08:33,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17 2025-08-31T10:08:33,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36 2025-08-31T10:08:33,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36 2025-08-31T10:08:33,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15 2025-08-31T10:08:33,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15 2025-08-31T10:08:33,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32 2025-08-31T10:08:33,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32 2025-08-31T10:08:33,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42 2025-08-31T10:08:33,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42 2025-08-31T10:08:33,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12 2025-08-31T10:08:33,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12 2025-08-31T10:08:33,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40 2025-08-31T10:08:33,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40 2025-08-31T10:08:33,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5 2025-08-31T10:08:33,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5 2025-08-31T10:08:33,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6 2025-08-31T10:08:33,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6 2025-08-31T10:08:33,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28 2025-08-31T10:08:33,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28 2025-08-31T10:08:33,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36 2025-08-31T10:08:33,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36 2025-08-31T10:08:33,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22 2025-08-31T10:08:33,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22 2025-08-31T10:08:33,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33 2025-08-31T10:08:33,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33 2025-08-31T10:08:33,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44 2025-08-31T10:08:33,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44 2025-08-31T10:08:33,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18 2025-08-31T10:08:33,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18 2025-08-31T10:08:33,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7 2025-08-31T10:08:33,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7 2025-08-31T10:08:33,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20 2025-08-31T10:08:33,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20 2025-08-31T10:08:33,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25 2025-08-31T10:08:33,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25 2025-08-31T10:08:33,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23 2025-08-31T10:08:33,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23 2025-08-31T10:08:33,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8 2025-08-31T10:08:33,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8 2025-08-31T10:08:33,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3 2025-08-31T10:08:33,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3 2025-08-31T10:08:33,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4 2025-08-31T10:08:33,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4 2025-08-31T10:08:33,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7 2025-08-31T10:08:33,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7 2025-08-31T10:08:33,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19 2025-08-31T10:08:33,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19 2025-08-31T10:08:33,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27 2025-08-31T10:08:33,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27 2025-08-31T10:08:33,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30 2025-08-31T10:08:33,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30 2025-08-31T10:08:33,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33 2025-08-31T10:08:33,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33 2025-08-31T10:08:33,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9 2025-08-31T10:08:33,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9 2025-08-31T10:08:33,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27 2025-08-31T10:08:33,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27 2025-08-31T10:08:33,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43 2025-08-31T10:08:33,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43 2025-08-31T10:08:33,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25 2025-08-31T10:08:33,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25 2025-08-31T10:08:33,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16 2025-08-31T10:08:33,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16 2025-08-31T10:08:33,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21 2025-08-31T10:08:33,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21 2025-08-31T10:08:33,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12 2025-08-31T10:08:33,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12 2025-08-31T10:08:33,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43 2025-08-31T10:08:33,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43 2025-08-31T10:08:33,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6 2025-08-31T10:08:33,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6 2025-08-31T10:08:33,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39 2025-08-31T10:08:33,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39 2025-08-31T10:08:33,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31 2025-08-31T10:08:33,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31 2025-08-31T10:08:33,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4 2025-08-31T10:08:33,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4 2025-08-31T10:08:33,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16 2025-08-31T10:08:33,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16 2025-08-31T10:08:33,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2 2025-08-31T10:08:33,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2 2025-08-31T10:08:33,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20 2025-08-31T10:08:33,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20 2025-08-31T10:08:33,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35 2025-08-31T10:08:33,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35 2025-08-31T10:08:33,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37 2025-08-31T10:08:33,504 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37 2025-08-31T10:08:33,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13 2025-08-31T10:08:33,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13 2025-08-31T10:08:33,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39 2025-08-31T10:08:33,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39 2025-08-31T10:08:33,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30 2025-08-31T10:08:33,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30 2025-08-31T10:08:33,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24 2025-08-31T10:08:33,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24 2025-08-31T10:08:33,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42 2025-08-31T10:08:33,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42 2025-08-31T10:08:33,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34 2025-08-31T10:08:33,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34 2025-08-31T10:08:33,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24 2025-08-31T10:08:33,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24 2025-08-31T10:08:33,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19 2025-08-31T10:08:33,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19 2025-08-31T10:08:33,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34 2025-08-31T10:08:33,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34 2025-08-31T10:08:33,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31 2025-08-31T10:08:33,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31 2025-08-31T10:08:33,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38 2025-08-31T10:08:33,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38 2025-08-31T10:08:33,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22 2025-08-31T10:08:33,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22 2025-08-31T10:08:33,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8 2025-08-31T10:08:33,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8 2025-08-31T10:08:33,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23 2025-08-31T10:08:33,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23 2025-08-31T10:08:33,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1 2025-08-31T10:08:33,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1 2025-08-31T10:08:33,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26 2025-08-31T10:08:33,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26 2025-08-31T10:08:33,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38 2025-08-31T10:08:33,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38 2025-08-31T10:08:33,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10 2025-08-31T10:08:33,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10 2025-08-31T10:08:33,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41 2025-08-31T10:08:33,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41 2025-08-31T10:08:33,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45 2025-08-31T10:08:33,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45 2025-08-31T10:08:33,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21 2025-08-31T10:08:33,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21 2025-08-31T10:08:33,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37 2025-08-31T10:08:33,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37 2025-08-31T10:08:33,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9 2025-08-31T10:08:33,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9 2025-08-31T10:08:33,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11 2025-08-31T10:08:33,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11 2025-08-31T10:08:33,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32 2025-08-31T10:08:33,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32 2025-08-31T10:08:33,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15 2025-08-31T10:08:33,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15 2025-08-31T10:08:33,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28 2025-08-31T10:08:33,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28 2025-08-31T10:08:33,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26 2025-08-31T10:08:33,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26 2025-08-31T10:08:33,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29 2025-08-31T10:08:33,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29 2025-08-31T10:08:33,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3 2025-08-31T10:08:33,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3 2025-08-31T10:08:33,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41 2025-08-31T10:08:33,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41 2025-08-31T10:08:33,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2 2025-08-31T10:08:33,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2 2025-08-31T10:08:33,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44 2025-08-31T10:08:33,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44 2025-08-31T10:08:33,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10 2025-08-31T10:08:33,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10 2025-08-31T10:08:33,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11 2025-08-31T10:08:33,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11 2025-08-31T10:08:33,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio 2025-08-31T10:08:33,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio 2025-08-31T10:08:33,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf 2025-08-31T10:08:33,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf 2025-08-31T10:08:33,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k 2025-08-31T10:08:33,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k 2025-08-31T10:08:33,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be 2025-08-31T10:08:33,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be 2025-08-31T10:08:33,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s 2025-08-31T10:08:33,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s 2025-08-31T10:08:33,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf 2025-08-31T10:08:33,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf 2025-08-31T10:08:33,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo 2025-08-31T10:08:33,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo 2025-08-31T10:08:33,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o 2025-08-31T10:08:33,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o 2025-08-31T10:08:33,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo 2025-08-31T10:08:33,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo 2025-08-31T10:08:33,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs 2025-08-31T10:08:33,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs 2025-08-31T10:08:33,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao 2025-08-31T10:08:33,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao 2025-08-31T10:08:33,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao 2025-08-31T10:08:33,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao 2025-08-31T10:08:33,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg 2025-08-31T10:08:33,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg 2025-08-31T10:08:33,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li 2025-08-31T10:08:33,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li 2025-08-31T10:08:33,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h 2025-08-31T10:08:33,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h 2025-08-31T10:08:33,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca 2025-08-31T10:08:33,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca 2025-08-31T10:08:33,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na 2025-08-31T10:08:33,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na 2025-08-31T10:08:33,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif 2025-08-31T10:08:33,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif 2025-08-31T10:08:33,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f 2025-08-31T10:08:33,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f 2025-08-31T10:08:33,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef 2025-08-31T10:08:33,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef 2025-08-31T10:08:33,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121 2025-08-31T10:08:33,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121 2025-08-31T10:08:33,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94 2025-08-31T10:08:33,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94 2025-08-31T10:08:33,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68 2025-08-31T10:08:33,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68 2025-08-31T10:08:33,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23 2025-08-31T10:08:33,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23 2025-08-31T10:08:33,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8 2025-08-31T10:08:33,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8 2025-08-31T10:08:33,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30 2025-08-31T10:08:33,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30 2025-08-31T10:08:33,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57 2025-08-31T10:08:33,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57 2025-08-31T10:08:33,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106 2025-08-31T10:08:33,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106 2025-08-31T10:08:33,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56 2025-08-31T10:08:33,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56 2025-08-31T10:08:33,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60 2025-08-31T10:08:33,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60 2025-08-31T10:08:33,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61 2025-08-31T10:08:33,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61 2025-08-31T10:08:33,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88 2025-08-31T10:08:33,728 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88 2025-08-31T10:08:33,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126 2025-08-31T10:08:33,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126 2025-08-31T10:08:33,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34 2025-08-31T10:08:33,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34 2025-08-31T10:08:33,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113 2025-08-31T10:08:33,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113 2025-08-31T10:08:33,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73 2025-08-31T10:08:33,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73 2025-08-31T10:08:33,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118 2025-08-31T10:08:33,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118 2025-08-31T10:08:33,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97 2025-08-31T10:08:33,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97 2025-08-31T10:08:33,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67 2025-08-31T10:08:33,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67 2025-08-31T10:08:33,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22 2025-08-31T10:08:33,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22 2025-08-31T10:08:33,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18 2025-08-31T10:08:33,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18 2025-08-31T10:08:33,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52 2025-08-31T10:08:33,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52 2025-08-31T10:08:33,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59 2025-08-31T10:08:33,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59 2025-08-31T10:08:33,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40 2025-08-31T10:08:33,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40 2025-08-31T10:08:33,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47 2025-08-31T10:08:33,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47 2025-08-31T10:08:33,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21 2025-08-31T10:08:33,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21 2025-08-31T10:08:33,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66 2025-08-31T10:08:33,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66 2025-08-31T10:08:33,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13 2025-08-31T10:08:33,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13 2025-08-31T10:08:33,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58 2025-08-31T10:08:33,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58 2025-08-31T10:08:33,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25 2025-08-31T10:08:33,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25 2025-08-31T10:08:33,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32 2025-08-31T10:08:33,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32 2025-08-31T10:08:33,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6 2025-08-31T10:08:33,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6 2025-08-31T10:08:33,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14 2025-08-31T10:08:33,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14 2025-08-31T10:08:33,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1 2025-08-31T10:08:33,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1 2025-08-31T10:08:33,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24 2025-08-31T10:08:33,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24 2025-08-31T10:08:33,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45 2025-08-31T10:08:33,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45 2025-08-31T10:08:33,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26 2025-08-31T10:08:33,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26 2025-08-31T10:08:33,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104 2025-08-31T10:08:33,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104 2025-08-31T10:08:33,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100 2025-08-31T10:08:33,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100 2025-08-31T10:08:33,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33 2025-08-31T10:08:33,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33 2025-08-31T10:08:33,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51 2025-08-31T10:08:33,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51 2025-08-31T10:08:33,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39 2025-08-31T10:08:33,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39 2025-08-31T10:08:33,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117 2025-08-31T10:08:33,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117 2025-08-31T10:08:33,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128 2025-08-31T10:08:33,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128 2025-08-31T10:08:33,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82 2025-08-31T10:08:33,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82 2025-08-31T10:08:33,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62 2025-08-31T10:08:33,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62 2025-08-31T10:08:33,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11 2025-08-31T10:08:33,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11 2025-08-31T10:08:33,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n 2025-08-31T10:08:33,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n 2025-08-31T10:08:33,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n 2025-08-31T10:08:33,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n 2025-08-31T10:08:33,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s 2025-08-31T10:08:33,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s 2025-08-31T10:08:33,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10 2025-08-31T10:08:33,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10 2025-08-31T10:08:33,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11 2025-08-31T10:08:33,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11 2025-08-31T10:08:33,864 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8 2025-08-31T10:08:33,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8 2025-08-31T10:08:33,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n 2025-08-31T10:08:33,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n 2025-08-31T10:08:33,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16 2025-08-31T10:08:33,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16 2025-08-31T10:08:33,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n 2025-08-31T10:08:33,875 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n 2025-08-31T10:08:33,877 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n 2025-08-31T10:08:33,878 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n 2025-08-31T10:08:33,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13 2025-08-31T10:08:33,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13 2025-08-31T10:08:33,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20 2025-08-31T10:08:33,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20 2025-08-31T10:08:33,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19 2025-08-31T10:08:33,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19 2025-08-31T10:08:33,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n 2025-08-31T10:08:33,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n 2025-08-31T10:08:33,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n 2025-08-31T10:08:33,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n 2025-08-31T10:08:33,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p- 2025-08-31T10:08:33,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p- 2025-08-31T10:08:33,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c- 2025-08-31T10:08:33,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c- 2025-08-31T10:08:33,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o- 2025-08-31T10:08:33,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o- 2025-08-31T10:08:33,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22 2025-08-31T10:08:33,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22 2025-08-31T10:08:33,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23 2025-08-31T10:08:33,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23 2025-08-31T10:08:33,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12 2025-08-31T10:08:33,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12 2025-08-31T10:08:33,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si 2025-08-31T10:08:33,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si 2025-08-31T10:08:33,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl 2025-08-31T10:08:33,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl 2025-08-31T10:08:33,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9 2025-08-31T10:08:33,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9 2025-08-31T10:08:33,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15 2025-08-31T10:08:33,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15 2025-08-31T10:08:33,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25 2025-08-31T10:08:33,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25 2025-08-31T10:08:33,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si- 2025-08-31T10:08:33,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si- 2025-08-31T10:08:33,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n 2025-08-31T10:08:33,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n 2025-08-31T10:08:33,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl- 2025-08-31T10:08:33,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl- 2025-08-31T10:08:33,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n 2025-08-31T10:08:33,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n 2025-08-31T10:08:33,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f- 2025-08-31T10:08:33,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f- 2025-08-31T10:08:33,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f 2025-08-31T10:08:33,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f 2025-08-31T10:08:33,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14 2025-08-31T10:08:33,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14 2025-08-31T10:08:33,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c 2025-08-31T10:08:33,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c 2025-08-31T10:08:33,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17 2025-08-31T10:08:33,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17 2025-08-31T10:08:33,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n 2025-08-31T10:08:33,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n 2025-08-31T10:08:33,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n 2025-08-31T10:08:33,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n 2025-08-31T10:08:33,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n 2025-08-31T10:08:33,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n 2025-08-31T10:08:33,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n 2025-08-31T10:08:33,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n 2025-08-31T10:08:33,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s- 2025-08-31T10:08:33,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s- 2025-08-31T10:08:33,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n 2025-08-31T10:08:33,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n 2025-08-31T10:08:33,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n 2025-08-31T10:08:33,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n 2025-08-31T10:08:33,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n 2025-08-31T10:08:33,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n 2025-08-31T10:08:33,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o 2025-08-31T10:08:33,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o 2025-08-31T10:08:33,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n 2025-08-31T10:08:33,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n 2025-08-31T10:08:33,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p 2025-08-31T10:08:33,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p 2025-08-31T10:08:33,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24 2025-08-31T10:08:33,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24 2025-08-31T10:08:34,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18 2025-08-31T10:08:34,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18 2025-08-31T10:08:34,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n 2025-08-31T10:08:34,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n 2025-08-31T10:08:34,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21 2025-08-31T10:08:34,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21 2025-08-31T10:08:34,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5 2025-08-31T10:08:34,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5 2025-08-31T10:08:34,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5 2025-08-31T10:08:34,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5 2025-08-31T10:08:34,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3 2025-08-31T10:08:34,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3 2025-08-31T10:08:34,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7 2025-08-31T10:08:34,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7 2025-08-31T10:08:34,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4 2025-08-31T10:08:34,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4 2025-08-31T10:08:34,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6 2025-08-31T10:08:34,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6 2025-08-31T10:08:34,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2 2025-08-31T10:08:34,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2 2025-08-31T10:08:34,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6 2025-08-31T10:08:34,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6 2025-08-31T10:08:34,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7 2025-08-31T10:08:34,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7 2025-08-31T10:08:34,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4 2025-08-31T10:08:34,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4 2025-08-31T10:08:34,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3 2025-08-31T10:08:34,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3 2025-08-31T10:08:34,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2 2025-08-31T10:08:34,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2 2025-08-31T10:08:34,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3 2025-08-31T10:08:34,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3 2025-08-31T10:08:34,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4 2025-08-31T10:08:34,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4 2025-08-31T10:08:34,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5 2025-08-31T10:08:34,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5 2025-08-31T10:08:34,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4 2025-08-31T10:08:34,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4 2025-08-31T10:08:34,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts 2025-08-31T10:08:34,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts 2025-08-31T10:08:34,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts 2025-08-31T10:08:34,071 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts 2025-08-31T10:08:34,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o 2025-08-31T10:08:34,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o 2025-08-31T10:08:34,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3 2025-08-31T10:08:34,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3 2025-08-31T10:08:34,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6 2025-08-31T10:08:34,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6 2025-08-31T10:08:34,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2 2025-08-31T10:08:34,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2 2025-08-31T10:08:34,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf 2025-08-31T10:08:34,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf 2025-08-31T10:08:34,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5 2025-08-31T10:08:34,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5 2025-08-31T10:08:34,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts 2025-08-31T10:08:34,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts 2025-08-31T10:08:34,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2 2025-08-31T10:08:34,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2 2025-08-31T10:08:34,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts 2025-08-31T10:08:34,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts 2025-08-31T10:08:34,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4 2025-08-31T10:08:34,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4 2025-08-31T10:08:34,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3 2025-08-31T10:08:34,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3 2025-08-31T10:08:34,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts 2025-08-31T10:08:34,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts 2025-08-31T10:08:34,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6 2025-08-31T10:08:34,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6 2025-08-31T10:08:34,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts 2025-08-31T10:08:34,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts 2025-08-31T10:08:34,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts 2025-08-31T10:08:34,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts 2025-08-31T10:08:34,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts 2025-08-31T10:08:34,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts 2025-08-31T10:08:34,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts 2025-08-31T10:08:34,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts 2025-08-31T10:08:34,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts 2025-08-31T10:08:34,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts 2025-08-31T10:08:34,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts 2025-08-31T10:08:34,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts 2025-08-31T10:08:34,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts 2025-08-31T10:08:34,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts 2025-08-31T10:08:34,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2 2025-08-31T10:08:34,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2 2025-08-31T10:08:34,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3 2025-08-31T10:08:34,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3 2025-08-31T10:08:34,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts 2025-08-31T10:08:34,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts 2025-08-31T10:08:34,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1 2025-08-31T10:08:34,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1 2025-08-31T10:08:34,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH 2025-08-31T10:08:34,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH 2025-08-31T10:08:34,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein 2025-08-31T10:08:34,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein 2025-08-31T10:08:34,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X 2025-08-31T10:08:34,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X 2025-08-31T10:08:34,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5 2025-08-31T10:08:34,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5 2025-08-31T10:08:34,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene 2025-08-31T10:08:34,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene 2025-08-31T10:08:34,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7 2025-08-31T10:08:34,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7 2025-08-31T10:08:34,174 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8 2025-08-31T10:08:34,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8 2025-08-31T10:08:34,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane 2025-08-31T10:08:34,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane 2025-08-31T10:08:34,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3 2025-08-31T10:08:34,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3 2025-08-31T10:08:34,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6 2025-08-31T10:08:34,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6 2025-08-31T10:08:34,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4 2025-08-31T10:08:34,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4 2025-08-31T10:08:34,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine 2025-08-31T10:08:34,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine 2025-08-31T10:08:34,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X 2025-08-31T10:08:34,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X 2025-08-31T10:08:34,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X 2025-08-31T10:08:34,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X 2025-08-31T10:08:34,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene 2025-08-31T10:08:34,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene 2025-08-31T10:08:34,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10 2025-08-31T10:08:34,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10 2025-08-31T10:08:34,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene 2025-08-31T10:08:34,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene 2025-08-31T10:08:34,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene 2025-08-31T10:08:34,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene 2025-08-31T10:08:34,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9 2025-08-31T10:08:34,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9 2025-08-31T10:08:34,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2 2025-08-31T10:08:34,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2 2025-08-31T10:08:34,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X 2025-08-31T10:08:34,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X 2025-08-31T10:08:34,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6 2025-08-31T10:08:34,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6 2025-08-31T10:08:34,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b 2025-08-31T10:08:34,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b 2025-08-31T10:08:34,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs 2025-08-31T10:08:34,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs 2025-08-31T10:08:34,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6 2025-08-31T10:08:34,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6 2025-08-31T10:08:34,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O 2025-08-31T10:08:34,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O 2025-08-31T10:08:34,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d 2025-08-31T10:08:34,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d 2025-08-31T10:08:34,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2 2025-08-31T10:08:34,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2 2025-08-31T10:08:34,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3 2025-08-31T10:08:34,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3 2025-08-31T10:08:34,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4 2025-08-31T10:08:34,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4 2025-08-31T10:08:34,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2 2025-08-31T10:08:34,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2 2025-08-31T10:08:34,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5 2025-08-31T10:08:34,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5 2025-08-31T10:08:34,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5 2025-08-31T10:08:34,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5 2025-08-31T10:08:34,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs 2025-08-31T10:08:34,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs 2025-08-31T10:08:34,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2 2025-08-31T10:08:34,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2 2025-08-31T10:08:34,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4 2025-08-31T10:08:34,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4 2025-08-31T10:08:34,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20 2025-08-31T10:08:34,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20 2025-08-31T10:08:34,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d 2025-08-31T10:08:34,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d 2025-08-31T10:08:34,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3 2025-08-31T10:08:34,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3 2025-08-31T10:08:34,284 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op 2025-08-31T10:08:34,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op 2025-08-31T10:08:34,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4 2025-08-31T10:08:34,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4 2025-08-31T10:08:34,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c 2025-08-31T10:08:34,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c 2025-08-31T10:08:34,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O 2025-08-31T10:08:34,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O 2025-08-31T10:08:34,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm 2025-08-31T10:08:34,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm 2025-08-31T10:08:34,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2 2025-08-31T10:08:34,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2 2025-08-31T10:08:34,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm 2025-08-31T10:08:34,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm 2025-08-31T10:08:34,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc 2025-08-31T10:08:34,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc 2025-08-31T10:08:34,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d 2025-08-31T10:08:34,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d 2025-08-31T10:08:34,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es 2025-08-31T10:08:34,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es 2025-08-31T10:08:34,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O 2025-08-31T10:08:34,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O 2025-08-31T10:08:34,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3 2025-08-31T10:08:34,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3 2025-08-31T10:08:34,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f- 2025-08-31T10:08:34,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f- 2025-08-31T10:08:34,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S 2025-08-31T10:08:34,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S 2025-08-31T10:08:34,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08 2025-08-31T10:08:34,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08 2025-08-31T10:08:34,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts 2025-08-31T10:08:34,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts 2025-08-31T10:08:34,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh 2025-08-31T10:08:34,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh 2025-08-31T10:08:34,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc 2025-08-31T10:08:34,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc 2025-08-31T10:08:34,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7 2025-08-31T10:08:34,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7 2025-08-31T10:08:34,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06 2025-08-31T10:08:34,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06 2025-08-31T10:08:34,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O 2025-08-31T10:08:34,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O 2025-08-31T10:08:34,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07 2025-08-31T10:08:34,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07 2025-08-31T10:08:34,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts 2025-08-31T10:08:34,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts 2025-08-31T10:08:34,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21 2025-08-31T10:08:34,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21 2025-08-31T10:08:34,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf 2025-08-31T10:08:34,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf 2025-08-31T10:08:34,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts 2025-08-31T10:08:34,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts 2025-08-31T10:08:34,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22 2025-08-31T10:08:34,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22 2025-08-31T10:08:34,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13 2025-08-31T10:08:34,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13 2025-08-31T10:08:34,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts 2025-08-31T10:08:34,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts 2025-08-31T10:08:34,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5 2025-08-31T10:08:34,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5 2025-08-31T10:08:34,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1 2025-08-31T10:08:34,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1 2025-08-31T10:08:34,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2 2025-08-31T10:08:34,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2 2025-08-31T10:08:34,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12 2025-08-31T10:08:34,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12 2025-08-31T10:08:34,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh- 2025-08-31T10:08:34,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh- 2025-08-31T10:08:34,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco 2025-08-31T10:08:34,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco 2025-08-31T10:08:34,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf 2025-08-31T10:08:34,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf 2025-08-31T10:08:34,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2 2025-08-31T10:08:34,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2 2025-08-31T10:08:34,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4 2025-08-31T10:08:34,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4 2025-08-31T10:08:34,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts 2025-08-31T10:08:34,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts 2025-08-31T10:08:34,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2 2025-08-31T10:08:34,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2 2025-08-31T10:08:34,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp 2025-08-31T10:08:34,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp 2025-08-31T10:08:34,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH 2025-08-31T10:08:34,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH 2025-08-31T10:08:34,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f 2025-08-31T10:08:34,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f 2025-08-31T10:08:34,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts 2025-08-31T10:08:34,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts 2025-08-31T10:08:34,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2 2025-08-31T10:08:34,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2 2025-08-31T10:08:34,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11 2025-08-31T10:08:34,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11 2025-08-31T10:08:34,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03 2025-08-31T10:08:34,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03 2025-08-31T10:08:34,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20 2025-08-31T10:08:34,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20 2025-08-31T10:08:34,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17 2025-08-31T10:08:34,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17 2025-08-31T10:08:34,474 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15 2025-08-31T10:08:34,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15 2025-08-31T10:08:34,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3 2025-08-31T10:08:34,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3 2025-08-31T10:08:34,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts 2025-08-31T10:08:34,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts 2025-08-31T10:08:34,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts 2025-08-31T10:08:34,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts 2025-08-31T10:08:34,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8 2025-08-31T10:08:34,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8 2025-08-31T10:08:34,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4 2025-08-31T10:08:34,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4 2025-08-31T10:08:34,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1 2025-08-31T10:08:34,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1 2025-08-31T10:08:34,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts 2025-08-31T10:08:34,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts 2025-08-31T10:08:34,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01 2025-08-31T10:08:34,504 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01 2025-08-31T10:08:34,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2 2025-08-31T10:08:34,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2 2025-08-31T10:08:34,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl- 2025-08-31T10:08:34,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl- 2025-08-31T10:08:34,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05 2025-08-31T10:08:34,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05 2025-08-31T10:08:34,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H 2025-08-31T10:08:34,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H 2025-08-31T10:08:34,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19 2025-08-31T10:08:34,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19 2025-08-31T10:08:34,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh 2025-08-31T10:08:34,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh 2025-08-31T10:08:34,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2 2025-08-31T10:08:34,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2 2025-08-31T10:08:34,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3 2025-08-31T10:08:34,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3 2025-08-31T10:08:34,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6 2025-08-31T10:08:34,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6 2025-08-31T10:08:34,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co 2025-08-31T10:08:34,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co 2025-08-31T10:08:34,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS 2025-08-31T10:08:34,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS 2025-08-31T10:08:34,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04 2025-08-31T10:08:34,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04 2025-08-31T10:08:34,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts 2025-08-31T10:08:34,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts 2025-08-31T10:08:34,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl 2025-08-31T10:08:34,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl 2025-08-31T10:08:34,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH 2025-08-31T10:08:34,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH 2025-08-31T10:08:34,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14 2025-08-31T10:08:34,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14 2025-08-31T10:08:34,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10 2025-08-31T10:08:34,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10 2025-08-31T10:08:34,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2 2025-08-31T10:08:34,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2 2025-08-31T10:08:34,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h 2025-08-31T10:08:34,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h 2025-08-31T10:08:34,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02 2025-08-31T10:08:34,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02 2025-08-31T10:08:34,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts 2025-08-31T10:08:34,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts 2025-08-31T10:08:34,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts 2025-08-31T10:08:34,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts 2025-08-31T10:08:34,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o 2025-08-31T10:08:34,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o 2025-08-31T10:08:34,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16 2025-08-31T10:08:34,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16 2025-08-31T10:08:34,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots 2025-08-31T10:08:34,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots 2025-08-31T10:08:34,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp 2025-08-31T10:08:34,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp 2025-08-31T10:08:34,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts 2025-08-31T10:08:34,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts 2025-08-31T10:08:34,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09 2025-08-31T10:08:34,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09 2025-08-31T10:08:34,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts 2025-08-31T10:08:34,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts 2025-08-31T10:08:34,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn 2025-08-31T10:08:34,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn 2025-08-31T10:08:34,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2 2025-08-31T10:08:34,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2 2025-08-31T10:08:34,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f 2025-08-31T10:08:34,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f 2025-08-31T10:08:34,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5 2025-08-31T10:08:34,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5 2025-08-31T10:08:34,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts 2025-08-31T10:08:34,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts 2025-08-31T10:08:34,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl 2025-08-31T10:08:34,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl 2025-08-31T10:08:34,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3 2025-08-31T10:08:34,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3 2025-08-31T10:08:34,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18 2025-08-31T10:08:34,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18 2025-08-31T10:08:34,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl 2025-08-31T10:08:34,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl 2025-08-31T10:08:34,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O 2025-08-31T10:08:34,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O 2025-08-31T10:08:34,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2 2025-08-31T10:08:34,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2 2025-08-31T10:08:34,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4 2025-08-31T10:08:34,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4 2025-08-31T10:08:34,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12 2025-08-31T10:08:34,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12 2025-08-31T10:08:34,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3 2025-08-31T10:08:34,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3 2025-08-31T10:08:34,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3 2025-08-31T10:08:34,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3 2025-08-31T10:08:34,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13 2025-08-31T10:08:34,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13 2025-08-31T10:08:34,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10 2025-08-31T10:08:34,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10 2025-08-31T10:08:34,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6 2025-08-31T10:08:34,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6 2025-08-31T10:08:34,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14 2025-08-31T10:08:34,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14 2025-08-31T10:08:34,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2 2025-08-31T10:08:34,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2 2025-08-31T10:08:34,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7 2025-08-31T10:08:34,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7 2025-08-31T10:08:34,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5 2025-08-31T10:08:34,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5 2025-08-31T10:08:34,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2 2025-08-31T10:08:34,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2 2025-08-31T10:08:34,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11 2025-08-31T10:08:34,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11 2025-08-31T10:08:34,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1 2025-08-31T10:08:34,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1 2025-08-31T10:08:34,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8 2025-08-31T10:08:34,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8 2025-08-31T10:08:34,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4 2025-08-31T10:08:34,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4 2025-08-31T10:08:34,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1 2025-08-31T10:08:34,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1 2025-08-31T10:08:34,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15 2025-08-31T10:08:34,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15 2025-08-31T10:08:34,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9 2025-08-31T10:08:34,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9 2025-08-31T10:08:34,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene 2025-08-31T10:08:34,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene 2025-08-31T10:08:34,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r 2025-08-31T10:08:34,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r 2025-08-31T10:08:34,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2 2025-08-31T10:08:34,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2 2025-08-31T10:08:34,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7 2025-08-31T10:08:34,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7 2025-08-31T10:08:34,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts 2025-08-31T10:08:34,728 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts 2025-08-31T10:08:34,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a 2025-08-31T10:08:34,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a 2025-08-31T10:08:34,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts 2025-08-31T10:08:34,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts 2025-08-31T10:08:34,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7 2025-08-31T10:08:34,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7 2025-08-31T10:08:34,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane 2025-08-31T10:08:34,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane 2025-08-31T10:08:34,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5 2025-08-31T10:08:34,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5 2025-08-31T10:08:34,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene 2025-08-31T10:08:34,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene 2025-08-31T10:08:34,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3 2025-08-31T10:08:34,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3 2025-08-31T10:08:34,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11 2025-08-31T10:08:34,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11 2025-08-31T10:08:34,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a 2025-08-31T10:08:34,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a 2025-08-31T10:08:34,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a 2025-08-31T10:08:34,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a 2025-08-31T10:08:34,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5 2025-08-31T10:08:34,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5 2025-08-31T10:08:34,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r 2025-08-31T10:08:34,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r 2025-08-31T10:08:34,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r 2025-08-31T10:08:34,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r 2025-08-31T10:08:34,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6 2025-08-31T10:08:34,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6 2025-08-31T10:08:34,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2025-08-31T10:08:34,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2025-08-31T10:08:34,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1 2025-08-31T10:08:34,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1 2025-08-31T10:08:34,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10 2025-08-31T10:08:34,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10 2025-08-31T10:08:34,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9 2025-08-31T10:08:34,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9 2025-08-31T10:08:34,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene 2025-08-31T10:08:34,792 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene 2025-08-31T10:08:34,794 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a 2025-08-31T10:08:34,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a 2025-08-31T10:08:34,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a 2025-08-31T10:08:34,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a 2025-08-31T10:08:34,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts 2025-08-31T10:08:34,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts 2025-08-31T10:08:34,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2025-08-31T10:08:34,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2025-08-31T10:08:34,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6 2025-08-31T10:08:34,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6 2025-08-31T10:08:34,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene 2025-08-31T10:08:34,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene 2025-08-31T10:08:34,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2025-08-31T10:08:34,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2025-08-31T10:08:34,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2025-08-31T10:08:34,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2025-08-31T10:08:34,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a 2025-08-31T10:08:34,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a 2025-08-31T10:08:34,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2025-08-31T10:08:34,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2025-08-31T10:08:34,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4 2025-08-31T10:08:34,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4 2025-08-31T10:08:34,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a 2025-08-31T10:08:34,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a 2025-08-31T10:08:34,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene 2025-08-31T10:08:34,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene 2025-08-31T10:08:34,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1 2025-08-31T10:08:34,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1 2025-08-31T10:08:34,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r 2025-08-31T10:08:34,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r 2025-08-31T10:08:34,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8 2025-08-31T10:08:34,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8 2025-08-31T10:08:34,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts 2025-08-31T10:08:34,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts 2025-08-31T10:08:34,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts 2025-08-31T10:08:34,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts 2025-08-31T10:08:34,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r 2025-08-31T10:08:34,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r 2025-08-31T10:08:34,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r 2025-08-31T10:08:34,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r 2025-08-31T10:08:34,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts 2025-08-31T10:08:34,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts 2025-08-31T10:08:34,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4 2025-08-31T10:08:34,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4 2025-08-31T10:08:34,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9 2025-08-31T10:08:34,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9 2025-08-31T10:08:34,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3 2025-08-31T10:08:34,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3 2025-08-31T10:08:34,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r 2025-08-31T10:08:34,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r 2025-08-31T10:08:34,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts 2025-08-31T10:08:34,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts 2025-08-31T10:08:34,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene 2025-08-31T10:08:34,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene 2025-08-31T10:08:34,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene 2025-08-31T10:08:34,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene 2025-08-31T10:08:34,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts 2025-08-31T10:08:34,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts 2025-08-31T10:08:34,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8 2025-08-31T10:08:34,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8 2025-08-31T10:08:34,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a 2025-08-31T10:08:34,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a 2025-08-31T10:08:34,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4 2025-08-31T10:08:34,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4 2025-08-31T10:08:34,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2 2025-08-31T10:08:34,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2 2025-08-31T10:08:34,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts 2025-08-31T10:08:34,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts 2025-08-31T10:08:34,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene 2025-08-31T10:08:34,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene 2025-08-31T10:08:34,914 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a 2025-08-31T10:08:34,915 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a 2025-08-31T10:08:34,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r 2025-08-31T10:08:34,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r 2025-08-31T10:08:34,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f- 2025-08-31T10:08:34,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f- 2025-08-31T10:08:34,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S 2025-08-31T10:08:34,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S 2025-08-31T10:08:34,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08 2025-08-31T10:08:34,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08 2025-08-31T10:08:34,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts 2025-08-31T10:08:34,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts 2025-08-31T10:08:34,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh 2025-08-31T10:08:34,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh 2025-08-31T10:08:34,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc 2025-08-31T10:08:34,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc 2025-08-31T10:08:34,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7 2025-08-31T10:08:34,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7 2025-08-31T10:08:34,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06 2025-08-31T10:08:34,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06 2025-08-31T10:08:34,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O 2025-08-31T10:08:34,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O 2025-08-31T10:08:34,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07 2025-08-31T10:08:34,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07 2025-08-31T10:08:34,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts 2025-08-31T10:08:34,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts 2025-08-31T10:08:34,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21 2025-08-31T10:08:34,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21 2025-08-31T10:08:34,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf 2025-08-31T10:08:34,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf 2025-08-31T10:08:34,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts 2025-08-31T10:08:34,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts 2025-08-31T10:08:34,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22 2025-08-31T10:08:34,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22 2025-08-31T10:08:34,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13 2025-08-31T10:08:34,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13 2025-08-31T10:08:34,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts 2025-08-31T10:08:34,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts 2025-08-31T10:08:34,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5 2025-08-31T10:08:34,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5 2025-08-31T10:08:34,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1 2025-08-31T10:08:34,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1 2025-08-31T10:08:34,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2 2025-08-31T10:08:34,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2 2025-08-31T10:08:34,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12 2025-08-31T10:08:34,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12 2025-08-31T10:08:34,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh- 2025-08-31T10:08:34,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh- 2025-08-31T10:08:34,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco 2025-08-31T10:08:34,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco 2025-08-31T10:08:35,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf 2025-08-31T10:08:35,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf 2025-08-31T10:08:35,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2 2025-08-31T10:08:35,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2 2025-08-31T10:08:35,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4 2025-08-31T10:08:35,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4 2025-08-31T10:08:35,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts 2025-08-31T10:08:35,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts 2025-08-31T10:08:35,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2 2025-08-31T10:08:35,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2 2025-08-31T10:08:35,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp 2025-08-31T10:08:35,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp 2025-08-31T10:08:35,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH 2025-08-31T10:08:35,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH 2025-08-31T10:08:35,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f 2025-08-31T10:08:35,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f 2025-08-31T10:08:35,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts 2025-08-31T10:08:35,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts 2025-08-31T10:08:35,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2 2025-08-31T10:08:35,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2 2025-08-31T10:08:35,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11 2025-08-31T10:08:35,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11 2025-08-31T10:08:35,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03 2025-08-31T10:08:35,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03 2025-08-31T10:08:35,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20 2025-08-31T10:08:35,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20 2025-08-31T10:08:35,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17 2025-08-31T10:08:35,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17 2025-08-31T10:08:35,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15 2025-08-31T10:08:35,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15 2025-08-31T10:08:35,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3 2025-08-31T10:08:35,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3 2025-08-31T10:08:35,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts 2025-08-31T10:08:35,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts 2025-08-31T10:08:35,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts 2025-08-31T10:08:35,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts 2025-08-31T10:08:35,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8 2025-08-31T10:08:35,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8 2025-08-31T10:08:35,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4 2025-08-31T10:08:35,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4 2025-08-31T10:08:35,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1 2025-08-31T10:08:35,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1 2025-08-31T10:08:35,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts 2025-08-31T10:08:35,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts 2025-08-31T10:08:35,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01 2025-08-31T10:08:35,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01 2025-08-31T10:08:35,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2 2025-08-31T10:08:35,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2 2025-08-31T10:08:35,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl- 2025-08-31T10:08:35,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl- 2025-08-31T10:08:35,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05 2025-08-31T10:08:35,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05 2025-08-31T10:08:35,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H 2025-08-31T10:08:35,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H 2025-08-31T10:08:35,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19 2025-08-31T10:08:35,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19 2025-08-31T10:08:35,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh 2025-08-31T10:08:35,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh 2025-08-31T10:08:35,098 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2 2025-08-31T10:08:35,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2 2025-08-31T10:08:35,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3 2025-08-31T10:08:35,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3 2025-08-31T10:08:35,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6 2025-08-31T10:08:35,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6 2025-08-31T10:08:35,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co 2025-08-31T10:08:35,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co 2025-08-31T10:08:35,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS 2025-08-31T10:08:35,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS 2025-08-31T10:08:35,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04 2025-08-31T10:08:35,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04 2025-08-31T10:08:35,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts 2025-08-31T10:08:35,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts 2025-08-31T10:08:35,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl 2025-08-31T10:08:35,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl 2025-08-31T10:08:35,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH 2025-08-31T10:08:35,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH 2025-08-31T10:08:35,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14 2025-08-31T10:08:35,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14 2025-08-31T10:08:35,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10 2025-08-31T10:08:35,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10 2025-08-31T10:08:35,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2 2025-08-31T10:08:35,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2 2025-08-31T10:08:35,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h 2025-08-31T10:08:35,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h 2025-08-31T10:08:35,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02 2025-08-31T10:08:35,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02 2025-08-31T10:08:35,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts 2025-08-31T10:08:35,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts 2025-08-31T10:08:35,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts 2025-08-31T10:08:35,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts 2025-08-31T10:08:35,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o 2025-08-31T10:08:35,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o 2025-08-31T10:08:35,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16 2025-08-31T10:08:35,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16 2025-08-31T10:08:35,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots 2025-08-31T10:08:35,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots 2025-08-31T10:08:35,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp 2025-08-31T10:08:35,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp 2025-08-31T10:08:35,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts 2025-08-31T10:08:35,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts 2025-08-31T10:08:35,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09 2025-08-31T10:08:35,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09 2025-08-31T10:08:35,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts 2025-08-31T10:08:35,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts 2025-08-31T10:08:35,174 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn 2025-08-31T10:08:35,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn 2025-08-31T10:08:35,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2 2025-08-31T10:08:35,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2 2025-08-31T10:08:35,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f 2025-08-31T10:08:35,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f 2025-08-31T10:08:35,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5 2025-08-31T10:08:35,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5 2025-08-31T10:08:35,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts 2025-08-31T10:08:35,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts 2025-08-31T10:08:35,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl 2025-08-31T10:08:35,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl 2025-08-31T10:08:35,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3 2025-08-31T10:08:35,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3 2025-08-31T10:08:35,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18 2025-08-31T10:08:35,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18 2025-08-31T10:08:35,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl 2025-08-31T10:08:35,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl 2025-08-31T10:08:35,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O 2025-08-31T10:08:35,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O 2025-08-31T10:08:35,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2 2025-08-31T10:08:35,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2 2025-08-31T10:08:35,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab 2025-08-31T10:08:35,215 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab 2025-08-31T10:08:35,217 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII 2025-08-31T10:08:35,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII 2025-08-31T10:08:35,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444 2025-08-31T10:08:35,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444 2025-08-31T10:08:35,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII 2025-08-31T10:08:35,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII 2025-08-31T10:08:35,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691 2025-08-31T10:08:35,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691 2025-08-31T10:08:35,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114 2025-08-31T10:08:35,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114 2025-08-31T10:08:35,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR 2025-08-31T10:08:35,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR 2025-08-31T10:08:35,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b 2025-08-31T10:08:35,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b 2025-08-31T10:08:35,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470 2025-08-31T10:08:35,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470 2025-08-31T10:08:35,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412 2025-08-31T10:08:35,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412 2025-08-31T10:08:35,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR 2025-08-31T10:08:35,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR 2025-08-31T10:08:35,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99 2025-08-31T10:08:35,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99 2025-08-31T10:08:35,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357 2025-08-31T10:08:35,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357 2025-08-31T10:08:35,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300 2025-08-31T10:08:35,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300 2025-08-31T10:08:35,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366 2025-08-31T10:08:35,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366 2025-08-31T10:08:35,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215 2025-08-31T10:08:35,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215 2025-08-31T10:08:35,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b 2025-08-31T10:08:35,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b 2025-08-31T10:08:35,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL 2025-08-31T10:08:35,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL 2025-08-31T10:08:35,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224 2025-08-31T10:08:35,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224 2025-08-31T10:08:35,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab 2025-08-31T10:08:35,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab 2025-08-31T10:08:35,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL 2025-08-31T10:08:35,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL 2025-08-31T10:08:35,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl 2025-08-31T10:08:35,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl 2025-08-31T10:08:35,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI 2025-08-31T10:08:35,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI 2025-08-31T10:08:35,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA 2025-08-31T10:08:35,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA 2025-08-31T10:08:35,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA 2025-08-31T10:08:35,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA 2025-08-31T10:08:35,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA 2025-08-31T10:08:35,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA 2025-08-31T10:08:35,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2 2025-08-31T10:08:35,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2 2025-08-31T10:08:35,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr 2025-08-31T10:08:35,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr 2025-08-31T10:08:35,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS 2025-08-31T10:08:35,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS 2025-08-31T10:08:35,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI 2025-08-31T10:08:35,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI 2025-08-31T10:08:35,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB 2025-08-31T10:08:35,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB 2025-08-31T10:08:35,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B 2025-08-31T10:08:35,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B 2025-08-31T10:08:35,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB 2025-08-31T10:08:35,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB 2025-08-31T10:08:35,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA 2025-08-31T10:08:35,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA 2025-08-31T10:08:35,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB 2025-08-31T10:08:35,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB 2025-08-31T10:08:35,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA 2025-08-31T10:08:35,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA 2025-08-31T10:08:35,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB 2025-08-31T10:08:35,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB 2025-08-31T10:08:35,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3 2025-08-31T10:08:35,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3 2025-08-31T10:08:35,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB 2025-08-31T10:08:35,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB 2025-08-31T10:08:35,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB 2025-08-31T10:08:35,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB 2025-08-31T10:08:35,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB 2025-08-31T10:08:35,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB 2025-08-31T10:08:35,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH 2025-08-31T10:08:35,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH 2025-08-31T10:08:35,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe 2025-08-31T10:08:35,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe 2025-08-31T10:08:35,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH 2025-08-31T10:08:35,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH 2025-08-31T10:08:35,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA 2025-08-31T10:08:35,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA 2025-08-31T10:08:35,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr 2025-08-31T10:08:35,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr 2025-08-31T10:08:35,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr 2025-08-31T10:08:35,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr 2025-08-31T10:08:35,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A 2025-08-31T10:08:35,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A 2025-08-31T10:08:35,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr 2025-08-31T10:08:35,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr 2025-08-31T10:08:35,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2 2025-08-31T10:08:35,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2 2025-08-31T10:08:35,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B 2025-08-31T10:08:35,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B 2025-08-31T10:08:35,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3 2025-08-31T10:08:35,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3 2025-08-31T10:08:35,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH 2025-08-31T10:08:35,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH 2025-08-31T10:08:35,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS 2025-08-31T10:08:35,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS 2025-08-31T10:08:35,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl 2025-08-31T10:08:35,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl 2025-08-31T10:08:35,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB 2025-08-31T10:08:35,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB 2025-08-31T10:08:35,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH 2025-08-31T10:08:35,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH 2025-08-31T10:08:35,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3 2025-08-31T10:08:35,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3 2025-08-31T10:08:35,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe 2025-08-31T10:08:35,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe 2025-08-31T10:08:35,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr 2025-08-31T10:08:35,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr 2025-08-31T10:08:35,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A 2025-08-31T10:08:35,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A 2025-08-31T10:08:35,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr 2025-08-31T10:08:35,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr 2025-08-31T10:08:35,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB 2025-08-31T10:08:35,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB 2025-08-31T10:08:35,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI 2025-08-31T10:08:35,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI 2025-08-31T10:08:35,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB 2025-08-31T10:08:35,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB 2025-08-31T10:08:35,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB 2025-08-31T10:08:35,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB 2025-08-31T10:08:35,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI 2025-08-31T10:08:35,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI 2025-08-31T10:08:35,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH 2025-08-31T10:08:35,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH 2025-08-31T10:08:35,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA 2025-08-31T10:08:35,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA 2025-08-31T10:08:35,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB 2025-08-31T10:08:35,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB 2025-08-31T10:08:35,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH 2025-08-31T10:08:35,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH 2025-08-31T10:08:35,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB 2025-08-31T10:08:35,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB 2025-08-31T10:08:35,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS 2025-08-31T10:08:35,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS 2025-08-31T10:08:35,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3 2025-08-31T10:08:35,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3 2025-08-31T10:08:35,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI 2025-08-31T10:08:35,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI 2025-08-31T10:08:35,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA 2025-08-31T10:08:35,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA 2025-08-31T10:08:35,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH 2025-08-31T10:08:35,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH 2025-08-31T10:08:35,474 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA 2025-08-31T10:08:35,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA 2025-08-31T10:08:35,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS 2025-08-31T10:08:35,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS 2025-08-31T10:08:35,481 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe 2025-08-31T10:08:35,482 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe 2025-08-31T10:08:35,485 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB 2025-08-31T10:08:35,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB 2025-08-31T10:08:35,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB 2025-08-31T10:08:35,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB 2025-08-31T10:08:35,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB 2025-08-31T10:08:35,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB 2025-08-31T10:08:35,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3 2025-08-31T10:08:35,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3 2025-08-31T10:08:35,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH 2025-08-31T10:08:35,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH 2025-08-31T10:08:35,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI 2025-08-31T10:08:35,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI 2025-08-31T10:08:35,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH 2025-08-31T10:08:35,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH 2025-08-31T10:08:35,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl 2025-08-31T10:08:35,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl 2025-08-31T10:08:35,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr 2025-08-31T10:08:35,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr 2025-08-31T10:08:35,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH 2025-08-31T10:08:35,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH 2025-08-31T10:08:35,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB 2025-08-31T10:08:35,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB 2025-08-31T10:08:35,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A 2025-08-31T10:08:35,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A 2025-08-31T10:08:35,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB 2025-08-31T10:08:35,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB 2025-08-31T10:08:35,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA 2025-08-31T10:08:35,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA 2025-08-31T10:08:35,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B 2025-08-31T10:08:35,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B 2025-08-31T10:08:35,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS 2025-08-31T10:08:35,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS 2025-08-31T10:08:35,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr 2025-08-31T10:08:35,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr 2025-08-31T10:08:35,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB 2025-08-31T10:08:35,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB 2025-08-31T10:08:35,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2 2025-08-31T10:08:35,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2 2025-08-31T10:08:35,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2 2025-08-31T10:08:35,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2 2025-08-31T10:08:35,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS 2025-08-31T10:08:35,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS 2025-08-31T10:08:35,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl 2025-08-31T10:08:35,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl 2025-08-31T10:08:35,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr 2025-08-31T10:08:35,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr 2025-08-31T10:08:35,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS 2025-08-31T10:08:35,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS 2025-08-31T10:08:35,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB 2025-08-31T10:08:35,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB 2025-08-31T10:08:35,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB 2025-08-31T10:08:35,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB 2025-08-31T10:08:35,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB 2025-08-31T10:08:35,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB 2025-08-31T10:08:35,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3 2025-08-31T10:08:35,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3 2025-08-31T10:08:35,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr 2025-08-31T10:08:35,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr 2025-08-31T10:08:35,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI 2025-08-31T10:08:35,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI 2025-08-31T10:08:35,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB 2025-08-31T10:08:35,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB 2025-08-31T10:08:35,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe 2025-08-31T10:08:35,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe 2025-08-31T10:08:35,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3 2025-08-31T10:08:35,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3 2025-08-31T10:08:35,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI 2025-08-31T10:08:35,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI 2025-08-31T10:08:35,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS 2025-08-31T10:08:35,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS 2025-08-31T10:08:35,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA 2025-08-31T10:08:35,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA 2025-08-31T10:08:35,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI 2025-08-31T10:08:35,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI 2025-08-31T10:08:35,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI 2025-08-31T10:08:35,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI 2025-08-31T10:08:35,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB 2025-08-31T10:08:35,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB 2025-08-31T10:08:35,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3 2025-08-31T10:08:35,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3 2025-08-31T10:08:35,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr 2025-08-31T10:08:35,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr 2025-08-31T10:08:35,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr 2025-08-31T10:08:35,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr 2025-08-31T10:08:35,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB 2025-08-31T10:08:35,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB 2025-08-31T10:08:35,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr 2025-08-31T10:08:35,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr 2025-08-31T10:08:35,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH 2025-08-31T10:08:35,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH 2025-08-31T10:08:35,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH 2025-08-31T10:08:35,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH 2025-08-31T10:08:35,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G 2025-08-31T10:08:35,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G 2025-08-31T10:08:35,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp 2025-08-31T10:08:35,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp 2025-08-31T10:08:35,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp 2025-08-31T10:08:35,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp 2025-08-31T10:08:35,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp 2025-08-31T10:08:35,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp 2025-08-31T10:08:35,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol 2025-08-31T10:08:35,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol 2025-08-31T10:08:35,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6 2025-08-31T10:08:35,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6 2025-08-31T10:08:35,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp 2025-08-31T10:08:35,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp 2025-08-31T10:08:35,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A 2025-08-31T10:08:35,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A 2025-08-31T10:08:35,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp 2025-08-31T10:08:35,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp 2025-08-31T10:08:35,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol 2025-08-31T10:08:35,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol 2025-08-31T10:08:35,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o 2025-08-31T10:08:35,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o 2025-08-31T10:08:35,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp 2025-08-31T10:08:35,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp 2025-08-31T10:08:35,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh 2025-08-31T10:08:35,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh 2025-08-31T10:08:35,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p 2025-08-31T10:08:35,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p 2025-08-31T10:08:35,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3 2025-08-31T10:08:35,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3 2025-08-31T10:08:35,690 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p 2025-08-31T10:08:35,691 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p 2025-08-31T10:08:35,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p 2025-08-31T10:08:35,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p 2025-08-31T10:08:35,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4 2025-08-31T10:08:35,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4 2025-08-31T10:08:35,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap 2025-08-31T10:08:35,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap 2025-08-31T10:08:35,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4 2025-08-31T10:08:35,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4 2025-08-31T10:08:35,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2 2025-08-31T10:08:35,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2 2025-08-31T10:08:35,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8 2025-08-31T10:08:35,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8 2025-08-31T10:08:35,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p 2025-08-31T10:08:35,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p 2025-08-31T10:08:35,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3 2025-08-31T10:08:35,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3 2025-08-31T10:08:35,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6 2025-08-31T10:08:35,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6 2025-08-31T10:08:35,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p 2025-08-31T10:08:35,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p 2025-08-31T10:08:35,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly 2025-08-31T10:08:35,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly 2025-08-31T10:08:35,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p 2025-08-31T10:08:35,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p 2025-08-31T10:08:35,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp 2025-08-31T10:08:35,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp 2025-08-31T10:08:35,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p 2025-08-31T10:08:35,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p 2025-08-31T10:08:35,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p 2025-08-31T10:08:35,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p 2025-08-31T10:08:35,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass 2025-08-31T10:08:35,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass 2025-08-31T10:08:35,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s 2025-08-31T10:08:35,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s 2025-08-31T10:08:35,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol 2025-08-31T10:08:35,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol 2025-08-31T10:08:35,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T 2025-08-31T10:08:35,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T 2025-08-31T10:08:35,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp 2025-08-31T10:08:35,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp 2025-08-31T10:08:35,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys 2025-08-31T10:08:35,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys 2025-08-31T10:08:35,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op 2025-08-31T10:08:35,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op 2025-08-31T10:08:35,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp 2025-08-31T10:08:35,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp 2025-08-31T10:08:35,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp 2025-08-31T10:08:35,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp 2025-08-31T10:08:35,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp 2025-08-31T10:08:35,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp 2025-08-31T10:08:35,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2 2025-08-31T10:08:35,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2 2025-08-31T10:08:35,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p 2025-08-31T10:08:35,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p 2025-08-31T10:08:35,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C 2025-08-31T10:08:35,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C 2025-08-31T10:08:35,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp 2025-08-31T10:08:35,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp 2025-08-31T10:08:35,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p 2025-08-31T10:08:35,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p 2025-08-31T10:08:35,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s 2025-08-31T10:08:35,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s 2025-08-31T10:08:35,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp 2025-08-31T10:08:35,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp 2025-08-31T10:08:35,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6 2025-08-31T10:08:35,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6 2025-08-31T10:08:35,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p 2025-08-31T10:08:35,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p 2025-08-31T10:08:35,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl 2025-08-31T10:08:35,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl 2025-08-31T10:08:35,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2 2025-08-31T10:08:35,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2 2025-08-31T10:08:35,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B 2025-08-31T10:08:35,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B 2025-08-31T10:08:35,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02 2025-08-31T10:08:35,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02 2025-08-31T10:08:35,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B 2025-08-31T10:08:35,831 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B 2025-08-31T10:08:35,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A 2025-08-31T10:08:35,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A 2025-08-31T10:08:35,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54 2025-08-31T10:08:35,838 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54 2025-08-31T10:08:35,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B 2025-08-31T10:08:35,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B 2025-08-31T10:08:35,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A 2025-08-31T10:08:35,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A 2025-08-31T10:08:35,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B 2025-08-31T10:08:35,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B 2025-08-31T10:08:35,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A 2025-08-31T10:08:35,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A 2025-08-31T10:08:35,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A 2025-08-31T10:08:35,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A 2025-08-31T10:08:35,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23 2025-08-31T10:08:35,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23 2025-08-31T10:08:35,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A 2025-08-31T10:08:35,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A 2025-08-31T10:08:35,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08 2025-08-31T10:08:35,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08 2025-08-31T10:08:35,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A 2025-08-31T10:08:35,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A 2025-08-31T10:08:35,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B 2025-08-31T10:08:35,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B 2025-08-31T10:08:35,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B 2025-08-31T10:08:35,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B 2025-08-31T10:08:35,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B 2025-08-31T10:08:35,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B 2025-08-31T10:08:35,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B 2025-08-31T10:08:35,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B 2025-08-31T10:08:35,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A 2025-08-31T10:08:35,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A 2025-08-31T10:08:35,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A 2025-08-31T10:08:35,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A 2025-08-31T10:08:35,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A 2025-08-31T10:08:35,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A 2025-08-31T10:08:35,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B 2025-08-31T10:08:35,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B 2025-08-31T10:08:35,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30 2025-08-31T10:08:35,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30 2025-08-31T10:08:35,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64 2025-08-31T10:08:35,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64 2025-08-31T10:08:35,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57 2025-08-31T10:08:35,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57 2025-08-31T10:08:35,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B 2025-08-31T10:08:35,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B 2025-08-31T10:08:35,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A 2025-08-31T10:08:35,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A 2025-08-31T10:08:35,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A 2025-08-31T10:08:35,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A 2025-08-31T10:08:35,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A 2025-08-31T10:08:35,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A 2025-08-31T10:08:35,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B 2025-08-31T10:08:35,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B 2025-08-31T10:08:35,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B 2025-08-31T10:08:35,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B 2025-08-31T10:08:35,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56 2025-08-31T10:08:35,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56 2025-08-31T10:08:35,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B 2025-08-31T10:08:35,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B 2025-08-31T10:08:35,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B 2025-08-31T10:08:35,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B 2025-08-31T10:08:35,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B 2025-08-31T10:08:35,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B 2025-08-31T10:08:35,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60 2025-08-31T10:08:35,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60 2025-08-31T10:08:35,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B 2025-08-31T10:08:35,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B 2025-08-31T10:08:35,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61 2025-08-31T10:08:35,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61 2025-08-31T10:08:35,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29 2025-08-31T10:08:35,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29 2025-08-31T10:08:35,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06 2025-08-31T10:08:35,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06 2025-08-31T10:08:35,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A 2025-08-31T10:08:35,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A 2025-08-31T10:08:35,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A 2025-08-31T10:08:35,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A 2025-08-31T10:08:35,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42 2025-08-31T10:08:35,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42 2025-08-31T10:08:35,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B 2025-08-31T10:08:35,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B 2025-08-31T10:08:35,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A 2025-08-31T10:08:35,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A 2025-08-31T10:08:35,973 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10 2025-08-31T10:08:35,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10 2025-08-31T10:08:35,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A 2025-08-31T10:08:35,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A 2025-08-31T10:08:35,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34 2025-08-31T10:08:35,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34 2025-08-31T10:08:35,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A 2025-08-31T10:08:35,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A 2025-08-31T10:08:35,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A 2025-08-31T10:08:35,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A 2025-08-31T10:08:35,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B 2025-08-31T10:08:35,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B 2025-08-31T10:08:35,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A 2025-08-31T10:08:35,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A 2025-08-31T10:08:35,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A 2025-08-31T10:08:35,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A 2025-08-31T10:08:36,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22 2025-08-31T10:08:36,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22 2025-08-31T10:08:36,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A 2025-08-31T10:08:36,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A 2025-08-31T10:08:36,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18 2025-08-31T10:08:36,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18 2025-08-31T10:08:36,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16 2025-08-31T10:08:36,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16 2025-08-31T10:08:36,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B 2025-08-31T10:08:36,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B 2025-08-31T10:08:36,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A 2025-08-31T10:08:36,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A 2025-08-31T10:08:36,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52 2025-08-31T10:08:36,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52 2025-08-31T10:08:36,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04 2025-08-31T10:08:36,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04 2025-08-31T10:08:36,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59 2025-08-31T10:08:36,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59 2025-08-31T10:08:36,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37 2025-08-31T10:08:36,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37 2025-08-31T10:08:36,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B 2025-08-31T10:08:36,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B 2025-08-31T10:08:36,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B 2025-08-31T10:08:36,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B 2025-08-31T10:08:36,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40 2025-08-31T10:08:36,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40 2025-08-31T10:08:36,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B 2025-08-31T10:08:36,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B 2025-08-31T10:08:36,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09 2025-08-31T10:08:36,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09 2025-08-31T10:08:36,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B 2025-08-31T10:08:36,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B 2025-08-31T10:08:36,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A 2025-08-31T10:08:36,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A 2025-08-31T10:08:36,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28 2025-08-31T10:08:36,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28 2025-08-31T10:08:36,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36 2025-08-31T10:08:36,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36 2025-08-31T10:08:36,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A 2025-08-31T10:08:36,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A 2025-08-31T10:08:36,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47 2025-08-31T10:08:36,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47 2025-08-31T10:08:36,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A 2025-08-31T10:08:36,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A 2025-08-31T10:08:36,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A 2025-08-31T10:08:36,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A 2025-08-31T10:08:36,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B 2025-08-31T10:08:36,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B 2025-08-31T10:08:36,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B 2025-08-31T10:08:36,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B 2025-08-31T10:08:36,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A 2025-08-31T10:08:36,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A 2025-08-31T10:08:36,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B 2025-08-31T10:08:36,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B 2025-08-31T10:08:36,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B 2025-08-31T10:08:36,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B 2025-08-31T10:08:36,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21 2025-08-31T10:08:36,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21 2025-08-31T10:08:36,098 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A 2025-08-31T10:08:36,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A 2025-08-31T10:08:36,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65 2025-08-31T10:08:36,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65 2025-08-31T10:08:36,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66 2025-08-31T10:08:36,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66 2025-08-31T10:08:36,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B 2025-08-31T10:08:36,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B 2025-08-31T10:08:36,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B 2025-08-31T10:08:36,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B 2025-08-31T10:08:36,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13 2025-08-31T10:08:36,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13 2025-08-31T10:08:36,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B 2025-08-31T10:08:36,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B 2025-08-31T10:08:36,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B 2025-08-31T10:08:36,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B 2025-08-31T10:08:36,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58 2025-08-31T10:08:36,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58 2025-08-31T10:08:36,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25 2025-08-31T10:08:36,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25 2025-08-31T10:08:36,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B 2025-08-31T10:08:36,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B 2025-08-31T10:08:36,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32 2025-08-31T10:08:36,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32 2025-08-31T10:08:36,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A 2025-08-31T10:08:36,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A 2025-08-31T10:08:36,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A 2025-08-31T10:08:36,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A 2025-08-31T10:08:36,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A 2025-08-31T10:08:36,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A 2025-08-31T10:08:36,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A 2025-08-31T10:08:36,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A 2025-08-31T10:08:36,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B 2025-08-31T10:08:36,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B 2025-08-31T10:08:36,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A 2025-08-31T10:08:36,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A 2025-08-31T10:08:36,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B 2025-08-31T10:08:36,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B 2025-08-31T10:08:36,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41 2025-08-31T10:08:36,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41 2025-08-31T10:08:36,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14 2025-08-31T10:08:36,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14 2025-08-31T10:08:36,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A 2025-08-31T10:08:36,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A 2025-08-31T10:08:36,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A 2025-08-31T10:08:36,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A 2025-08-31T10:08:36,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A 2025-08-31T10:08:36,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A 2025-08-31T10:08:36,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A 2025-08-31T10:08:36,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A 2025-08-31T10:08:36,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A 2025-08-31T10:08:36,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A 2025-08-31T10:08:36,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15 2025-08-31T10:08:36,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15 2025-08-31T10:08:36,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A 2025-08-31T10:08:36,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A 2025-08-31T10:08:36,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B 2025-08-31T10:08:36,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B 2025-08-31T10:08:36,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A 2025-08-31T10:08:36,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A 2025-08-31T10:08:36,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38 2025-08-31T10:08:36,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38 2025-08-31T10:08:36,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24 2025-08-31T10:08:36,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24 2025-08-31T10:08:36,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B 2025-08-31T10:08:36,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B 2025-08-31T10:08:36,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B 2025-08-31T10:08:36,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B 2025-08-31T10:08:36,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B 2025-08-31T10:08:36,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B 2025-08-31T10:08:36,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A 2025-08-31T10:08:36,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A 2025-08-31T10:08:36,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B 2025-08-31T10:08:36,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B 2025-08-31T10:08:36,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19 2025-08-31T10:08:36,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19 2025-08-31T10:08:36,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01 2025-08-31T10:08:36,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01 2025-08-31T10:08:36,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B 2025-08-31T10:08:36,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B 2025-08-31T10:08:36,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A 2025-08-31T10:08:36,233 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A 2025-08-31T10:08:36,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A 2025-08-31T10:08:36,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A 2025-08-31T10:08:36,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31 2025-08-31T10:08:36,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31 2025-08-31T10:08:36,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45 2025-08-31T10:08:36,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45 2025-08-31T10:08:36,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B 2025-08-31T10:08:36,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B 2025-08-31T10:08:36,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50 2025-08-31T10:08:36,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50 2025-08-31T10:08:36,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B 2025-08-31T10:08:36,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B 2025-08-31T10:08:36,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26 2025-08-31T10:08:36,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26 2025-08-31T10:08:36,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A 2025-08-31T10:08:36,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A 2025-08-31T10:08:36,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B 2025-08-31T10:08:36,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B 2025-08-31T10:08:36,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B 2025-08-31T10:08:36,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B 2025-08-31T10:08:36,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46 2025-08-31T10:08:36,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46 2025-08-31T10:08:36,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A 2025-08-31T10:08:36,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A 2025-08-31T10:08:36,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03 2025-08-31T10:08:36,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03 2025-08-31T10:08:36,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B 2025-08-31T10:08:36,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B 2025-08-31T10:08:36,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B 2025-08-31T10:08:36,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B 2025-08-31T10:08:36,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20 2025-08-31T10:08:36,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20 2025-08-31T10:08:36,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B 2025-08-31T10:08:36,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B 2025-08-31T10:08:36,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B 2025-08-31T10:08:36,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B 2025-08-31T10:08:36,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B 2025-08-31T10:08:36,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B 2025-08-31T10:08:36,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43 2025-08-31T10:08:36,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43 2025-08-31T10:08:36,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B 2025-08-31T10:08:36,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B 2025-08-31T10:08:36,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44 2025-08-31T10:08:36,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44 2025-08-31T10:08:36,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A 2025-08-31T10:08:36,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A 2025-08-31T10:08:36,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A 2025-08-31T10:08:36,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A 2025-08-31T10:08:36,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A 2025-08-31T10:08:36,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A 2025-08-31T10:08:36,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A 2025-08-31T10:08:36,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A 2025-08-31T10:08:36,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A 2025-08-31T10:08:36,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A 2025-08-31T10:08:36,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A 2025-08-31T10:08:36,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A 2025-08-31T10:08:36,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A 2025-08-31T10:08:36,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A 2025-08-31T10:08:36,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B 2025-08-31T10:08:36,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B 2025-08-31T10:08:36,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B 2025-08-31T10:08:36,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B 2025-08-31T10:08:36,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A 2025-08-31T10:08:36,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A 2025-08-31T10:08:36,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B 2025-08-31T10:08:36,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B 2025-08-31T10:08:36,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A 2025-08-31T10:08:36,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A 2025-08-31T10:08:36,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B 2025-08-31T10:08:36,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B 2025-08-31T10:08:36,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33 2025-08-31T10:08:36,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33 2025-08-31T10:08:36,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12 2025-08-31T10:08:36,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12 2025-08-31T10:08:36,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53 2025-08-31T10:08:36,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53 2025-08-31T10:08:36,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A 2025-08-31T10:08:36,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A 2025-08-31T10:08:36,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17 2025-08-31T10:08:36,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17 2025-08-31T10:08:36,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55 2025-08-31T10:08:36,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55 2025-08-31T10:08:36,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B 2025-08-31T10:08:36,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B 2025-08-31T10:08:36,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35 2025-08-31T10:08:36,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35 2025-08-31T10:08:36,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A 2025-08-31T10:08:36,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A 2025-08-31T10:08:36,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B 2025-08-31T10:08:36,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B 2025-08-31T10:08:36,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B 2025-08-31T10:08:36,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B 2025-08-31T10:08:36,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A 2025-08-31T10:08:36,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A 2025-08-31T10:08:36,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B 2025-08-31T10:08:36,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B 2025-08-31T10:08:36,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51 2025-08-31T10:08:36,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51 2025-08-31T10:08:36,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A 2025-08-31T10:08:36,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A 2025-08-31T10:08:36,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B 2025-08-31T10:08:36,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B 2025-08-31T10:08:36,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A 2025-08-31T10:08:36,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A 2025-08-31T10:08:36,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39 2025-08-31T10:08:36,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39 2025-08-31T10:08:36,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49 2025-08-31T10:08:36,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49 2025-08-31T10:08:36,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A 2025-08-31T10:08:36,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A 2025-08-31T10:08:36,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A 2025-08-31T10:08:36,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A 2025-08-31T10:08:36,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05 2025-08-31T10:08:36,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05 2025-08-31T10:08:36,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B 2025-08-31T10:08:36,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B 2025-08-31T10:08:36,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B 2025-08-31T10:08:36,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B 2025-08-31T10:08:36,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B 2025-08-31T10:08:36,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B 2025-08-31T10:08:36,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B 2025-08-31T10:08:36,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B 2025-08-31T10:08:36,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48 2025-08-31T10:08:36,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48 2025-08-31T10:08:36,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63 2025-08-31T10:08:36,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63 2025-08-31T10:08:36,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B 2025-08-31T10:08:36,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B 2025-08-31T10:08:36,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07 2025-08-31T10:08:36,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07 2025-08-31T10:08:36,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B 2025-08-31T10:08:36,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B 2025-08-31T10:08:36,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62 2025-08-31T10:08:36,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62 2025-08-31T10:08:36,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A 2025-08-31T10:08:36,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A 2025-08-31T10:08:36,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B 2025-08-31T10:08:36,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B 2025-08-31T10:08:36,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A 2025-08-31T10:08:36,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A 2025-08-31T10:08:36,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A 2025-08-31T10:08:36,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A 2025-08-31T10:08:36,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A 2025-08-31T10:08:36,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A 2025-08-31T10:08:36,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11 2025-08-31T10:08:36,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11 2025-08-31T10:08:36,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A 2025-08-31T10:08:36,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A 2025-08-31T10:08:36,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27 2025-08-31T10:08:36,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27 2025-08-31T10:08:36,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip 2025-08-31T10:08:36,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip 2025-08-31T10:08:36,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add 2025-08-31T10:08:36,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add 2025-08-31T10:08:36,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl 2025-08-31T10:08:36,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl 2025-08-31T10:08:36,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb 2025-08-31T10:08:36,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb 2025-08-31T10:08:36,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2 2025-08-31T10:08:36,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2 2025-08-31T10:08:36,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2 2025-08-31T10:08:36,504 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2 2025-08-31T10:08:36,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8 2025-08-31T10:08:36,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8 2025-08-31T10:08:36,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35 2025-08-31T10:08:36,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35 2025-08-31T10:08:36,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene 2025-08-31T10:08:36,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene 2025-08-31T10:08:36,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be 2025-08-31T10:08:36,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be 2025-08-31T10:08:36,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1 2025-08-31T10:08:36,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1 2025-08-31T10:08:36,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen 2025-08-31T10:08:36,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen 2025-08-31T10:08:36,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3 2025-08-31T10:08:36,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3 2025-08-31T10:08:36,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6 2025-08-31T10:08:36,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6 2025-08-31T10:08:36,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2 2025-08-31T10:08:36,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2 2025-08-31T10:08:36,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4 2025-08-31T10:08:36,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4 2025-08-31T10:08:36,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4 2025-08-31T10:08:36,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4 2025-08-31T10:08:36,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2 2025-08-31T10:08:36,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2 2025-08-31T10:08:36,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6 2025-08-31T10:08:36,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6 2025-08-31T10:08:36,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35 2025-08-31T10:08:36,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35 2025-08-31T10:08:36,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen 2025-08-31T10:08:36,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen 2025-08-31T10:08:36,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2 2025-08-31T10:08:36,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2 2025-08-31T10:08:36,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne 2025-08-31T10:08:36,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne 2025-08-31T10:08:36,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36 2025-08-31T10:08:36,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36 2025-08-31T10:08:36,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36 2025-08-31T10:08:36,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36 2025-08-31T10:08:36,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add 2025-08-31T10:08:36,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add 2025-08-31T10:08:36,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage 2025-08-31T10:08:36,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage 2025-08-31T10:08:36,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1 2025-08-31T10:08:36,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1 2025-08-31T10:08:36,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL 2025-08-31T10:08:36,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL 2025-08-31T10:08:36,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41 2025-08-31T10:08:36,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41 2025-08-31T10:08:36,599 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,601 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,604 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,606 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,608 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,611 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,613 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,615 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,617 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,619 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,621 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,624 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,626 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,628 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,630 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,632 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,635 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,637 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,639 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,641 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,643 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,646 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,648 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,650 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,652 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,654 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,656 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,659 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,661 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,663 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,665 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,668 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,670 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,672 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,674 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,676 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,679 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,681 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,683 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,685 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,687 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,690 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,692 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,694 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,696 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,699 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,701 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,703 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,706 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,708 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,710 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,712 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,714 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,716 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,719 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,721 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,723 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,726 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,728 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,730 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,732 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,735 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,737 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,739 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,741 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,744 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,746 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,748 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,751 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,753 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,755 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,757 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,760 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,762 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,764 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,766 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,768 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,771 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,773 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,775 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,777 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,780 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,782 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,784 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,786 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,789 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,791 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,793 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,796 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,799 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,802 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,805 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,809 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,812 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,815 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,818 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,821 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,824 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,826 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,829 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,832 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,835 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,838 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,841 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,844 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,847 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,850 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,853 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,856 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,859 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,862 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,865 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,868 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,871 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,873 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,877 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,880 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,883 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,886 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,889 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,892 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,895 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,898 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,900 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,902 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,904 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,906 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,908 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,911 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,913 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,915 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,917 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,920 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,922 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,924 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,926 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,928 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,931 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,933 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,935 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,938 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,940 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,942 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,945 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,947 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,949 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,952 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,954 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,956 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,958 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,961 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,963 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,966 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,968 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,971 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,974 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,977 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,981 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,983 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,986 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,988 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,990 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,993 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,996 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:36,999 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,001 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,003 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,006 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,008 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,011 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,013 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,016 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,018 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,020 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,023 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,025 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,027 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,031 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,035 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,037 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,039 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,042 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,044 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,047 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,050 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,052 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,055 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,058 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,060 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,063 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,066 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,068 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,070 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,073 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,076 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,078 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,080 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,083 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,085 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,088 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,090 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,093 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,095 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,098 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,101 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,103 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,105 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,108 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,110 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,113 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,115 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,117 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,119 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,121 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,124 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,126 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,128 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,131 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,133 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,136 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,138 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,140 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,142 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,144 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,146 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,149 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,151 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,153 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,155 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,158 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,160 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,162 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,164 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,166 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,168 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,171 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,173 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,175 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,177 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,180 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,182 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,184 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,186 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,188 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,191 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,193 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,195 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,198 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,200 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,202 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,204 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,206 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,209 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,211 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,213 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,215 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,218 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,220 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,222 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,225 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,227 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,229 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,231 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,234 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,236 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,238 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,241 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,243 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,246 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,248 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,250 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,252 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,255 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,257 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,260 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,262 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,264 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,267 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,269 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,271 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,274 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,277 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,280 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,283 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,286 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,288 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,291 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,294 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,296 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,299 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,302 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,305 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,308 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,311 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,316 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,320 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,324 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,328 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,331 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,334 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,337 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,371 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,374 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,376 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,378 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,381 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,383 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,385 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,387 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,389 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,394 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,402 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,421 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,431 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,439 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,441 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,444 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,447 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,449 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,451 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,454 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,458 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,461 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,464 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,468 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,470 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,474 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,479 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,485 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,492 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,495 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,498 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,501 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,504 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,507 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,509 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,512 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,515 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,518 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,520 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,523 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,526 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,528 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,531 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,534 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,536 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,539 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,542 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,763 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,767 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,771 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,775 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,778 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,782 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,787 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,791 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,794 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,798 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,802 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,807 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,811 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,815 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,819 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,824 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,827 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,831 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,835 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,839 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,843 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,847 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,850 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,852 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,855 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,857 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,859 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,861 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,863 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,865 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,867 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,869 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,871 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,874 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,876 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,878 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,880 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,883 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,885 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,888 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,890 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,892 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,894 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,896 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,899 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,901 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,903 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,906 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,908 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,910 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,912 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,914 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,917 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,919 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,921 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,923 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,925 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,927 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,930 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,932 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,934 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,936 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,939 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,941 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,943 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,946 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,948 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,950 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,952 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,954 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,957 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,959 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,961 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,963 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,966 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,968 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,970 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,972 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,974 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:37,977 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,194 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,196 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,198 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,200 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,202 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,204 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,207 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,209 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,211 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,214 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,216 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,218 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,221 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,223 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,225 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,227 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,229 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,232 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,234 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,236 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,239 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,241 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,243 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,245 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,248 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,250 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,252 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,255 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,257 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,259 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,262 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,264 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,266 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,268 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,270 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,273 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,275 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,277 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,280 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,282 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,284 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,287 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,290 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,292 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,295 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,298 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,300 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,303 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,306 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,308 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,310 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,312 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,315 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,317 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,319 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,322 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,324 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,327 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,329 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,331 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,334 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,336 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,338 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,340 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,343 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,345 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,348 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,350 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,353 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,355 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,357 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,359 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,362 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,365 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,367 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,369 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,371 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,373 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,376 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,378 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,380 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,382 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,385 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,387 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,389 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,392 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,394 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,397 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,400 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,404 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,408 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,411 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,413 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,416 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,418 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,420 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,422 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,425 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,427 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,429 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,431 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,434 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,436 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,438 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,441 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,443 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,445 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,448 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,450 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,452 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,455 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,457 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,459 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,461 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,464 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,466 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,468 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,470 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,472 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,475 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,477 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,479 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,481 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,483 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,485 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,488 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,490 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,492 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,495 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,497 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,499 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,501 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,504 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,506 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,508 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,511 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,513 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,515 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,517 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,520 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,522 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,524 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,526 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,529 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,531 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,533 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,535 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,537 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,540 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,542 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,544 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,546 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,549 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,551 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,553 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,556 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,559 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,561 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,564 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,567 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,570 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,573 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,576 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,578 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,581 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,584 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,587 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,590 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,593 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,596 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,599 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,604 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,606 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,609 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,612 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,614 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,617 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,620 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,623 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,626 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,628 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,631 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,634 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,637 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,640 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,642 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,645 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,648 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,651 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,654 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,656 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,658 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,660 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,663 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,665 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,667 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,669 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,671 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,674 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,676 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,678 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,680 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,682 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,685 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,687 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,689 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,691 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,694 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,696 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,699 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,704 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,710 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,717 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,726 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,735 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,739 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,742 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,746 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,749 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,752 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,758 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,765 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,772 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,788 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,797 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,802 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,806 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,810 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,812 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,815 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,819 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,824 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,826 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:08:38,830 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:08:38,833 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:08:38,839 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:08:38,845 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:08:38,851 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:08:38,857 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:08:38,862 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:08:38,870 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:08:38,879 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:08:38,882 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,883 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,885 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,888 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,890 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,892 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,894 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,896 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,898 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,900 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,903 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,905 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,907 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,909 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,911 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,914 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,916 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,918 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,920 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,923 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,925 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,927 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,929 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,931 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,934 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,936 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,938 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,940 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,942 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,945 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,947 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,949 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,951 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,954 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,956 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,958 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,960 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,962 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,964 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,966 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,969 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,971 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,973 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,975 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,977 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,979 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,982 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,984 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,986 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,988 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,990 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,993 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,995 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,997 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:38,999 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,002 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,004 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,007 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,009 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,012 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,014 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,017 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,019 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,021 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,024 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,026 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,028 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,030 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,032 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,034 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,036 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,038 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:08:39,040 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,042 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,044 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,046 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,049 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,051 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,053 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,056 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,059 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,061 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,064 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,066 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,068 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,070 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,072 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,075 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,077 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,079 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,082 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,084 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,086 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,088 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,090 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,092 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,095 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,097 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,099 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,101 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,103 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,105 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,107 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,109 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,112 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,114 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,116 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,118 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,121 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,123 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:08:39,125 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,126 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,128 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,130 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,133 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,135 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,137 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,140 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,142 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,145 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,147 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,150 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,152 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,155 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,157 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,159 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,162 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,164 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,166 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,168 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,171 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,173 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,175 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,177 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,179 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,182 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,184 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,186 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,188 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,190 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,193 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,195 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,197 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,199 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,202 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,204 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,206 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,208 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,211 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,213 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,215 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:08:39,217 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2025-08-31T10:08:39,218 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2025-08-31T10:08:39,220 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2025-08-31T10:08:39,222 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2025-08-31T10:08:39,225 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2025-08-31T10:08:39,227 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,228 copying xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,230 copying xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,232 copying xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,235 copying xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,237 copying xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,239 copying xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,241 copying xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,244 copying xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,246 copying xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,248 copying xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,250 copying xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,252 copying xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,255 copying xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,257 copying xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,259 copying xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,261 copying xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,263 copying xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,265 copying xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,267 copying xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,270 copying xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,272 copying xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,274 copying xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,276 copying xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,278 copying xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,280 copying xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,282 copying xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:08:39,284 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:08:39,285 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:08:39,288 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:08:39,290 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:08:39,292 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:08:39,294 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:08:39,296 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:08:39,299 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:08:39,301 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:08:39,303 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:08:39,305 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:08:39,307 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:08:39,309 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:08:39,312 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,313 copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,315 copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,317 copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,320 copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,322 copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,324 copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,326 copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,328 copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,330 copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,333 copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,335 copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,337 copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,339 copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,342 copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,344 copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,346 copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,348 copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,350 copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,352 copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,355 copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,357 copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,359 copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,362 copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,364 copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,366 copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,368 copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,371 copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,373 copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,375 copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,377 copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,380 copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,382 copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,384 copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,387 copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,389 copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,391 copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,393 copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,395 copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,397 copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,399 copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,402 copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,404 copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,406 copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,409 copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,411 copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,414 copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,416 copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,418 copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,420 copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,423 copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,425 copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,427 copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,429 copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,432 copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,434 copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,437 copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,439 copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,441 copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,444 copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,446 copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,449 copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,451 copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,454 copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,456 copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,458 copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,460 copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:08:39,462 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,463 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,466 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,468 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,470 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,472 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,475 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,477 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,479 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,482 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,484 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,486 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,489 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,491 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,493 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,496 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,498 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,501 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,503 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,505 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,508 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,510 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,513 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,517 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,520 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,522 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,525 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,528 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,532 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,534 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,536 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,539 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,542 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,545 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,549 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,554 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,562 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,572 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,582 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,587 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,593 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,607 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,611 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,613 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:08:39,615 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,617 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,619 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,621 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,624 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,626 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,628 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,630 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,633 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,635 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,637 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,639 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,641 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,643 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,645 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,647 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,649 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,652 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,654 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,656 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,658 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,661 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,663 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,665 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,667 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,669 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,672 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,674 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,676 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,678 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,680 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,683 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,685 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,687 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,689 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,692 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,694 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,696 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,698 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,701 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,703 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,705 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,707 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,709 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,711 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,713 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,715 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,718 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,720 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,722 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,724 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,726 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,728 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,731 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,733 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,735 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,737 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,740 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,742 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,744 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,746 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,748 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,750 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,753 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,755 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,757 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,759 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,762 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,764 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,766 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,768 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,770 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,772 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,775 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,777 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,779 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,781 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,783 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,785 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,788 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,790 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,793 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,795 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,797 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,799 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,801 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,804 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,806 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,808 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,810 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,813 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,815 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,817 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,819 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,821 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,824 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,826 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,828 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:08:39,830 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,831 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,834 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,836 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,838 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,840 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,842 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,845 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,847 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,849 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,851 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,854 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,856 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,859 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,861 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,863 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,866 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,868 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,870 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,872 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,874 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,877 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,879 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,881 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,884 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,886 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,888 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,890 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,892 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,894 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,896 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,899 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,901 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,903 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,905 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,907 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,910 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,912 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,914 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,916 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,919 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,921 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,923 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,925 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,928 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,930 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,932 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,935 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,937 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,939 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,942 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,944 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,946 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,948 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,951 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,953 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,955 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,957 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,959 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,962 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,964 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,966 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,969 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,971 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,973 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,975 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,977 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,980 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,982 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,984 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,986 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,988 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,991 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,993 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,995 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:39,997 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,000 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,002 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,004 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,006 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,008 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,010 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,012 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,015 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,017 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,019 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,021 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,023 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,025 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,028 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,030 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,032 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,034 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,037 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,039 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,041 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,043 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,046 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,048 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,050 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,052 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,055 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,057 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,059 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,061 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,063 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,066 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,068 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,070 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,072 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,074 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,076 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,078 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,081 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,083 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,085 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,087 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,090 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,092 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,095 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,097 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,099 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,101 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,103 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,106 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,108 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,110 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,112 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,115 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,117 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,119 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,121 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,123 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,125 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,127 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,130 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,132 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,134 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,136 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,139 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,141 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,143 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,145 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,148 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,150 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,152 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,154 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,156 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,159 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,162 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,164 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,167 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,170 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,172 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,174 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,176 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,179 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,181 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,183 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,185 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,187 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,189 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,191 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,193 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,196 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,198 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,200 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,202 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,204 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,207 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,209 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,211 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,213 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,215 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,217 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,220 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,222 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,224 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,226 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,229 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,231 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,233 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,235 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,238 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,240 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,242 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,244 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,246 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,248 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,250 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,252 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,254 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,257 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,259 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,261 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,264 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,266 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,268 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,270 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,273 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,276 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,278 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,281 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,283 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,286 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,288 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,290 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,292 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,295 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,297 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,299 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,301 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,303 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,305 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,307 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,310 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,312 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,314 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,316 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,318 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,321 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,323 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,325 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,327 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,329 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,332 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,334 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,336 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,338 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,340 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,342 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,345 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,347 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,349 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,351 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,354 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,356 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,358 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,360 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,362 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,364 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,366 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,368 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,370 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,373 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,375 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,378 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,380 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,382 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,385 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,387 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,389 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,392 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,394 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,396 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,398 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,400 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,403 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,405 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,408 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,410 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,412 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,414 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,416 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,419 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,421 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,423 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,425 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,428 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,430 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,433 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,435 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,438 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,440 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,443 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,446 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,448 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,451 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,454 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,456 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,458 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,461 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,463 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,465 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,467 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,469 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,472 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,474 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,476 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,478 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,480 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,483 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,485 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,487 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,489 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,491 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,493 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,495 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,498 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,500 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,502 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,505 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,507 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,509 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,512 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,514 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,516 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,518 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,520 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,523 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,525 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,527 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,529 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,532 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,534 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,536 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,538 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,540 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,542 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,544 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,546 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,549 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,551 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,553 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,555 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,557 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,560 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,562 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,565 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,567 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,570 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,572 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,575 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,577 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,579 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,582 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,584 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,586 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,588 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,591 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,593 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,595 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,597 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,600 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,602 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,604 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,606 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,608 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,610 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,613 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,615 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,617 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,620 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,622 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,625 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,627 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,629 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,632 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,634 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,636 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,638 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,641 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,643 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,645 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,647 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,650 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,652 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,654 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,656 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,658 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,660 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,663 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,665 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,668 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,670 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,673 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,675 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,677 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,679 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,682 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,684 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,686 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,688 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,690 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,693 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,695 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,697 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,700 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,702 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,705 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,708 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,711 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,713 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,716 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,719 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,721 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,723 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,726 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,728 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,731 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,733 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,735 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,737 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,739 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,742 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,744 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,746 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,749 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,751 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,753 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,756 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,758 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,760 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,762 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,764 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,767 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,769 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,771 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,773 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,776 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,778 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,780 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,782 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,784 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,787 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,789 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,791 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,793 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,795 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,798 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,800 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,802 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,804 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,807 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,809 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,811 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,814 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,816 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,818 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,820 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,822 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,825 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,827 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,829 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,832 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,834 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,836 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,839 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,841 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,843 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,845 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,847 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,849 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,851 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,854 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,856 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,858 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,860 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,862 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,864 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,866 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,869 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,871 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,873 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,875 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,877 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,879 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,882 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,884 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,886 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,888 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,891 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,893 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,895 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,897 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,900 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,902 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,904 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,906 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,908 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,911 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,913 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,915 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,918 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:08:40,920 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:08:40,921 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:08:40,924 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:08:40,926 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:08:40,928 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:08:40,931 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:08:40,934 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:08:40,936 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:08:40,938 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:08:40,941 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,942 copying xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,944 copying xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,947 copying xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,949 copying xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,951 copying xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,954 copying xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,956 copying xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,958 copying xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,960 copying xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,963 copying xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,966 copying xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,970 copying xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,974 copying xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,980 copying xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,987 copying xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,989 copying xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,992 copying xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,995 copying xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:40,998 copying xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,000 copying xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,003 copying xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,006 copying xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,009 copying xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,019 copying xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,025 copying xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,032 copying xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,034 copying xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,036 copying xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,039 copying xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,041 copying xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,043 copying xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,045 copying xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,048 copying xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,050 copying xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,052 copying xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,054 copying xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,057 copying xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,059 copying xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,061 copying xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,063 copying xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,065 copying xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,067 copying xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,070 copying xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,072 copying xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,074 copying xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,076 copying xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,078 copying xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,081 copying xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,083 copying xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,085 copying xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,088 copying xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,090 copying xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,092 copying xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,094 copying xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,096 copying xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,099 copying xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,101 copying xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,103 copying xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,105 copying xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,108 copying xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,110 copying xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,112 copying xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,115 copying xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,117 copying xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,119 copying xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,121 copying xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,124 copying xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,126 copying xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,128 copying xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,130 copying xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,132 copying xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:08:41,134 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,136 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,138 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,140 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,142 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,145 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,147 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,149 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,151 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,154 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,156 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,158 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,161 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,163 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,165 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,168 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,170 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,172 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,175 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,177 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,179 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,181 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,184 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,186 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,188 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,190 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,193 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,195 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,197 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,199 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,202 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,204 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,206 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,208 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,211 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,213 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,215 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,217 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,219 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,222 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,224 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,226 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,229 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,231 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,233 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,236 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,238 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,240 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,242 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,244 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,247 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,249 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,251 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,253 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,255 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,258 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,260 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,262 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,265 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,267 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,269 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,271 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,273 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,276 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,278 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,280 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,282 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,285 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,287 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,289 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,292 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,294 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,296 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,298 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,301 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,303 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,305 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,307 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,309 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,311 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,314 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,316 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,318 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,320 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,323 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,325 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,327 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,330 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,332 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,334 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,337 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,339 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,341 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,343 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,346 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,348 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,351 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,353 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,355 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,357 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,360 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,362 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,364 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,366 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,368 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,370 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,373 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,375 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,377 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,380 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,382 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,384 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,386 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,389 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,391 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,393 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,395 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,398 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,400 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,402 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,405 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,407 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,409 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,411 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,413 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,416 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,418 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,420 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,422 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,424 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,427 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,429 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,431 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,434 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,436 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,438 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,441 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,443 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,445 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,447 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,450 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,452 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,454 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,456 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,459 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,461 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,463 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,465 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,468 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,470 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,472 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,474 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,476 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,479 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,482 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,484 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,486 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,488 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,490 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,492 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,495 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,497 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,499 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,501 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,503 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,506 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,508 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,510 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,512 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,514 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,517 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,519 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,522 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,524 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,527 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,529 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,531 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,533 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,536 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,538 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,540 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,542 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,544 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,547 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,549 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,551 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,553 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,556 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,558 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,560 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,562 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,564 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,567 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,569 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,571 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,573 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,576 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,578 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,580 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,582 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,585 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,587 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,589 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,591 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,593 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,595 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,598 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,600 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,602 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,604 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,606 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,609 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,611 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,614 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,617 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,620 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,623 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,626 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,629 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,632 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,634 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,637 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,639 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,642 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,644 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,647 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,649 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,652 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,654 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,657 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,659 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,662 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,664 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,667 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,669 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,672 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:08:41,674 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,676 copying xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,678 copying xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,681 copying xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,683 copying xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,686 copying xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,688 copying xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,691 copying xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,694 copying xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,696 copying xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,699 copying xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,701 copying xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,704 copying xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,707 copying xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,710 copying xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,712 copying xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,715 copying xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,717 copying xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,720 copying xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,722 copying xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,725 copying xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,727 copying xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,730 copying xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,732 copying xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:08:41,734 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,736 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/24_H_x+g-x+_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,738 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,741 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,743 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/18_H_g+x-t+_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,746 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,749 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,751 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,754 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,756 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/17_H_g+x-g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,759 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,761 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,764 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,767 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/14_H_g+t+g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,769 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,772 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,774 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/21_H_t+g+x-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,777 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,779 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/23_H_x+g-g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:08:41,782 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:08:41,783 copying xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:08:41,786 copying xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:08:41,789 copying xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:08:41,791 copying xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:08:41,794 copying xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:08:41,797 copying xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:08:41,799 copying xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:08:41,802 copying xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:08:41,805 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,806 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,809 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,811 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,814 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,816 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,819 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,822 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,825 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,827 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,830 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,832 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,835 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,838 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,840 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,842 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,845 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,848 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,850 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,853 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,856 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,859 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,862 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,864 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,867 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,869 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,872 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,874 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,877 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,879 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,882 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,884 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,887 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,889 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,892 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,895 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,897 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,900 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,903 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,905 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,908 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,911 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,913 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,916 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,919 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,921 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,924 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,926 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,929 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,932 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,935 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,937 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,940 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,942 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,945 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,947 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,950 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,952 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,955 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,957 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,960 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,962 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,965 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,967 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,970 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,972 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,975 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,978 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,980 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,983 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,985 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,988 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,990 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,993 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,996 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:41,998 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:42,001 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:42,003 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:42,005 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:42,008 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:42,010 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:42,013 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:42,015 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:42,018 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:42,020 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:42,023 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:42,026 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:42,028 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:42,031 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:42,033 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:42,036 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:08:42,038 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,039 copying xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,042 copying xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,045 copying xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,047 copying xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,049 copying xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,051 copying xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,054 copying xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,056 copying xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,058 copying xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,060 copying xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,063 copying xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,065 copying xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,067 copying xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,070 copying xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,072 copying xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,074 copying xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,076 copying xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,078 copying xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,080 copying xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,082 copying xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,084 copying xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,086 copying xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,088 copying xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,090 copying xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,092 copying xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,094 copying xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,096 copying xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,098 copying xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,101 copying xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,103 copying xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,105 copying xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,107 copying xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,109 copying xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,112 copying xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,114 copying xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,116 copying xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,118 copying xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,121 copying xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,123 copying xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,125 copying xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,127 copying xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,129 copying xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,133 copying xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,136 copying xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,138 copying xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,140 copying xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,142 copying xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,144 copying xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,146 copying xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,148 copying xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,151 copying xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,153 copying xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,155 copying xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,157 copying xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,159 copying xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,161 copying xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,164 copying xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,166 copying xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,168 copying xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,170 copying xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:08:42,172 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2025-08-31T10:08:42,173 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2025-08-31T10:08:42,176 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2025-08-31T10:08:42,178 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2025-08-31T10:08:42,180 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2025-08-31T10:08:42,182 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2025-08-31T10:08:42,184 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,186 copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,188 copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,190 copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,192 copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,194 copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,196 copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,198 copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,200 copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,202 copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,204 copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,207 copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,209 copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,211 copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,213 copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,215 copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,217 copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,219 copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,221 copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,223 copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,226 copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,228 copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,230 copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,232 copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,234 copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,236 copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,238 copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,241 copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,243 copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,245 copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,247 copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,250 copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,252 copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,254 copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,256 copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,258 copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,260 copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,262 copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,265 copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,267 copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,269 copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,271 copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,273 copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,275 copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,278 copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,280 copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,282 copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,284 copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,287 copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,289 copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,291 copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,293 copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,295 copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,297 copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,299 copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,301 copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,304 copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,306 copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,308 copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,311 copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,313 copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:08:42,315 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,316 copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,318 copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,320 copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,322 copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,324 copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,326 copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,328 copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,331 copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,335 copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,339 copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,344 copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,347 copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,349 copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,351 copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,353 copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,355 copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,357 copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,359 copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,362 copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,364 copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,366 copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,368 copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,371 copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,373 copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,375 copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,377 copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,379 copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,382 copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,384 copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,386 copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,388 copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,390 copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,392 copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,394 copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,396 copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,398 copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,400 copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,402 copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,405 copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,407 copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,409 copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,411 copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,413 copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,415 copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,418 copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:08:42,420 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,421 copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,423 copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,426 copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,428 copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,430 copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,432 copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,435 copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,437 copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,440 copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,442 copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,444 copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,446 copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,448 copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,450 copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,452 copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,454 copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,456 copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,458 copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,460 copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,462 copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,465 copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,467 copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,469 copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,471 copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,473 copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,475 copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,478 copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,480 copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,482 copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,484 copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,486 copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,489 copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,491 copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,493 copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,495 copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,498 copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,500 copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,502 copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,504 copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,506 copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,508 copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,510 copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:08:42,512 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,513 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,515 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,517 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,519 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,521 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,523 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,525 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,528 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,530 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,532 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,534 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,536 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,538 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,541 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,543 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,545 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,547 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,550 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,552 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,554 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,556 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,558 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,561 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,563 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,565 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,567 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,569 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,571 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,573 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,575 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,577 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,579 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,582 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,584 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,587 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,589 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,592 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,594 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,597 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,599 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,601 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,604 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,606 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,609 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,611 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:08:42,613 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:08:42,615 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:08:42,617 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:08:42,619 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:08:42,621 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:08:42,623 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:08:42,625 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:08:42,628 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:08:42,630 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:08:42,632 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,633 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,635 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,637 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,639 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,641 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,643 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,645 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,648 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,650 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,652 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,654 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,656 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,659 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,661 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,663 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,665 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,667 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,670 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,672 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,674 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,676 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,678 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,681 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,683 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,685 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,687 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,689 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,692 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,694 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,696 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,699 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,701 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,703 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,706 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,708 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,710 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,713 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,715 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,717 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,720 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,722 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,725 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,727 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,729 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,731 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,733 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,735 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,738 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,740 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,742 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,744 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,746 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,749 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,751 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,753 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,755 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,758 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,760 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,762 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,764 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,767 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,769 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,771 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,773 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,775 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,778 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,780 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,782 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,784 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,786 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,789 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,791 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,793 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,795 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,797 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,799 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,801 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,804 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,806 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,808 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,810 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,812 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,815 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,817 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,819 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,821 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,823 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,826 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,828 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,830 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,832 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,835 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,837 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,839 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,842 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,844 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,846 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,848 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,851 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,853 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,855 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,857 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,860 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,862 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,864 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,866 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,869 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,871 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,873 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,875 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,877 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,880 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,882 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,884 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,887 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,889 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,891 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,894 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,896 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,898 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,900 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,902 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,904 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,906 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,908 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,911 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,913 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,915 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,918 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,920 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,922 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,925 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,927 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,929 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,932 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,934 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,936 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,939 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,941 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,943 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,946 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,948 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,950 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,952 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,954 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,956 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,959 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,961 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,963 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,965 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,967 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,970 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,972 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,974 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,977 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,979 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,982 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,984 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,986 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,988 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,991 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,993 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,995 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:42,998 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,000 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,002 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,005 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,007 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,009 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,012 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,015 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,017 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,019 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,022 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,024 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,027 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,029 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,032 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,034 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,036 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,039 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,041 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,044 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,046 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,049 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,052 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,054 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,057 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,059 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,061 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,064 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,066 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,068 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,071 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,073 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,075 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,077 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,080 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,082 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,084 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,086 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,089 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,091 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,094 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,096 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,099 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,101 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,104 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,106 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,108 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:08:43,110 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,112 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,114 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,117 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,119 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,121 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,124 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,126 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,128 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,131 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,133 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,135 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,137 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,140 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,142 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,144 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,146 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,149 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,151 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,153 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,155 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,158 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,160 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,163 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,165 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,167 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,169 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,172 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,174 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,176 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,178 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,181 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,183 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,185 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,187 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,190 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,192 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,194 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,196 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,198 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,200 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:08:43,202 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,204 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,206 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,208 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,210 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,213 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,215 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,217 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,219 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,221 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,224 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,226 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,228 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,230 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,234 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,237 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,239 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,242 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,244 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,248 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,254 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,268 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,285 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,302 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,317 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,334 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,340 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,343 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,345 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,347 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,350 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,352 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,354 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,356 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,359 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,361 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,364 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,366 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,369 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,371 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,373 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,375 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,378 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,380 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,382 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,385 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:08:43,386 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,388 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,391 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,394 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,396 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,399 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,401 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,403 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,406 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,408 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,410 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,412 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,415 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,418 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,430 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,434 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,438 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,440 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,442 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,444 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,447 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,449 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,451 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,454 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,456 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,458 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,460 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,462 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,465 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,467 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,469 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,471 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,474 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:08:43,476 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,477 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,479 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,481 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,484 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,486 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,488 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,490 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,492 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,495 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,497 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,499 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,501 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,504 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,506 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,508 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,510 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,512 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,515 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,517 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,520 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,522 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,524 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,527 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,530 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,533 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,536 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,539 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,542 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,545 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,548 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,551 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,553 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,556 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,558 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,561 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,566 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,569 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,572 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:08:43,575 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,577 copying xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,581 copying xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,585 copying xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,589 copying xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,594 copying xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,600 copying xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,603 copying xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,606 copying xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,609 copying xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,612 copying xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,615 copying xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,619 copying xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,622 copying xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,625 copying xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,628 copying xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,631 copying xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,634 copying xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,637 copying xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,640 copying xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,643 copying xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,646 copying xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,649 copying xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,653 copying xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,656 copying xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,659 copying xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,662 copying xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,666 copying xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:08:43,668 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,670 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,674 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,677 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,680 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,683 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,686 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,689 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,692 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,695 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,697 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,700 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,702 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,704 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,707 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,709 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,711 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,714 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,716 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,718 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,720 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,723 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,725 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,727 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,729 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,732 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,734 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,736 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,739 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,741 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,743 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,745 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,748 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,750 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,752 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,754 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,757 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,759 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,761 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,764 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,766 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,768 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,770 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,773 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,775 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,777 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,779 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,781 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,783 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,786 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,788 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,790 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,793 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,795 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,797 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,799 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,802 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,804 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,806 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,808 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,811 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,813 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,815 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,818 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,820 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,822 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:08:43,824 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,825 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,827 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,829 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,832 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,834 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,836 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,839 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,841 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,843 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,845 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,847 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,850 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,852 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,854 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,856 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,859 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,861 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,863 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,865 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,867 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,870 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,872 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,875 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,877 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,879 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,881 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,883 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,885 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,887 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,889 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,892 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,894 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,896 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,898 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,900 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,902 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,904 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,907 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,909 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,911 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,914 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,916 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,918 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,920 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,923 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,925 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,927 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,929 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,932 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,934 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,936 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,938 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,940 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,942 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,945 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,947 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,949 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,951 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,954 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,956 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,958 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,960 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,962 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,964 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,966 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,968 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,970 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,973 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,975 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,977 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,979 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,982 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,984 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,987 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,989 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,991 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,994 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,996 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:43,998 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,000 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,002 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,004 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,007 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,009 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,011 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,013 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,015 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,017 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,020 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,022 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,024 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,026 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,028 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,031 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,033 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,035 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,038 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,040 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,042 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,045 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,047 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,050 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,052 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,054 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,056 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,058 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,060 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,062 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,064 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,066 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,068 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,070 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,073 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,075 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,077 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,079 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,081 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,084 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,086 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,088 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:08:44,090 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2025-08-31T10:08:44,091 copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2025-08-31T10:08:44,094 copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2025-08-31T10:08:44,096 copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2025-08-31T10:08:44,099 copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2025-08-31T10:08:44,101 copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2025-08-31T10:08:44,104 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,105 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,108 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,110 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,112 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,114 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,116 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,118 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,120 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,123 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,125 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,127 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,129 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,132 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,134 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,136 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,138 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,140 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,142 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,144 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,147 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,149 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,151 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,153 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,156 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,158 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,160 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,162 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,165 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,167 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,170 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,172 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,174 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,176 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:08:44,178 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,179 copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,181 copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,183 copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,185 copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,187 copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,189 copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,191 copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,194 copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,196 copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,198 copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,200 copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,202 copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,204 copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,206 copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,208 copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,211 copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,213 copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,215 copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,217 copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,219 copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,222 copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,224 copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,226 copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,228 copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,230 copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,232 copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,235 copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,237 copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,239 copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,241 copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,243 copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,245 copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,247 copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,249 copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,251 copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,253 copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,256 copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,258 copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,260 copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,262 copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,264 copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,266 copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,268 copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,270 copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,273 copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,275 copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,277 copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,279 copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,282 copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,284 copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,286 copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,288 copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,290 copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,292 copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,294 copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,296 copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,299 copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,301 copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,303 copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,305 copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,307 copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,309 copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,311 copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,314 copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,316 copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,318 copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,321 copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,323 copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,325 copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,327 copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,329 copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,331 copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,334 copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,336 copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,338 copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,340 copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,342 copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,344 copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,346 copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,348 copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,350 copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,352 copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,354 copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,357 copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,359 copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,361 copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,363 copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,365 copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,367 copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,369 copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:08:44,371 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,372 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,375 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/210_nh2cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,377 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,379 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,381 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,383 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,385 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,388 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,390 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,392 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,395 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,397 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,399 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,401 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,404 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,406 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/152_c-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,410 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,412 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,415 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,417 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,419 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,421 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,423 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,426 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,428 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,430 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,432 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,434 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,437 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/241_sih3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,439 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,441 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,443 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,446 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,448 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,450 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,452 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,455 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,457 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,459 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,461 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,464 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,466 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,469 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,471 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,474 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,476 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,478 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,480 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,482 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,485 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,487 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,489 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,491 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/132_ccl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,493 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,496 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,498 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,500 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,502 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,505 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/242_sih4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,507 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,509 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,511 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,514 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,516 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,518 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/244_sio_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,520 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,522 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,524 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,527 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/208_nccn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,529 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,531 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/157_clf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,533 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,536 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,538 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,540 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,542 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,544 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,546 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,549 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,551 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/243_sih_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,553 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,555 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,557 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,559 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,562 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,564 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/151_c-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,566 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,568 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,570 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,572 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/135_cf4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,574 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,576 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,579 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,581 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,583 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,585 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,587 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,590 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/206_n2h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,592 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,594 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,596 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/212_nh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,598 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,600 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,602 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,604 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,607 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/139_ch2f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,609 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,611 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,613 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,615 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,617 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,619 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,621 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,623 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,626 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,628 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,630 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/149_c-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,632 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,634 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,637 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,639 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,641 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/160_c-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,643 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,645 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,648 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,650 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,652 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,654 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,656 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/153_cl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,658 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,660 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,662 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/142_ch2-sing_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,665 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,667 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,669 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,671 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,673 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,675 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,677 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,679 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,681 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,683 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,685 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,687 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,689 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,692 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/141_ch2nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,694 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,696 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,699 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,701 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,703 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/205_n2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,706 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:08:44,708 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,709 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,711 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,714 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,716 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,718 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,720 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,722 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,724 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,726 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,728 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,730 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,732 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,735 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,737 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,739 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,741 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,743 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,745 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,748 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,750 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,752 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:08:44,754 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,755 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,758 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,760 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,762 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,764 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,767 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,769 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,771 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,773 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,776 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,778 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,780 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,782 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,784 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,786 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,789 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,791 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,793 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,796 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,798 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,800 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,803 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,805 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,807 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,810 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,812 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,815 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,817 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,820 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,822 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,824 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,826 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,828 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,831 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,833 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,835 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:08:44,837 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,838 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,840 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,842 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,845 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,847 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,849 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,851 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,853 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,855 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,858 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,860 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,862 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,865 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,867 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,870 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,873 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,875 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,878 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,880 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,882 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,885 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:08:44,888 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,889 copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,892 copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,895 copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,897 copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,899 copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,901 copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,903 copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,906 copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,908 copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,910 copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,912 copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,915 copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,917 copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,919 copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,921 copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,924 copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,927 copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,929 copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,932 copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,934 copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,936 copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,938 copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,941 copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,943 copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,945 copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,947 copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,950 copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,952 copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,954 copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,956 copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,958 copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,960 copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,962 copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,964 copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,966 copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,969 copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,971 copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,973 copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,975 copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,977 copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,980 copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,982 copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,984 copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,986 copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,988 copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,991 copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,993 copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,995 copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:44,997 copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,000 copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,002 copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,004 copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,006 copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,009 copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,011 copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,013 copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,015 copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,017 copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,019 copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,021 copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,023 copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,025 copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,028 copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,030 copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,032 copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,034 copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,036 copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,038 copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,040 copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,042 copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,044 copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,046 copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,049 copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,051 copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,053 copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,055 copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,057 copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,060 copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,062 copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,064 copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,067 copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,069 copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,071 copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,073 copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,075 copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,077 copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,080 copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,082 copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,084 copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,086 copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,088 copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,091 copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,093 copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:08:45,095 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,097 copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,099 copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,101 copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,104 copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,107 copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,110 copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,112 copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,115 copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,118 copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,121 copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,123 copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,126 copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,129 copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,133 copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,136 copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,139 copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,142 copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,144 copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,147 copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,150 copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,153 copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,156 copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,158 copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,161 copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,164 copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,167 copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,170 copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,172 copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,175 copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,178 copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,181 copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,184 copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,187 copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,190 copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,192 copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,195 copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,198 copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,201 copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,203 copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,206 copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,208 copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,210 copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,212 copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,214 copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,217 copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,219 copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,221 copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,223 copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,226 copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,228 copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,230 copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,232 copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,234 copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,236 copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,238 copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,241 copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,243 copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,245 copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,247 copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,249 copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,252 copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,254 copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,256 copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,258 copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,261 copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,263 copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,265 copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,267 copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,269 copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,271 copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,273 copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,276 copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:08:45,278 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,279 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,281 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,283 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,286 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,288 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,290 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,292 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,295 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,297 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,299 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,301 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,304 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,306 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,308 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,310 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,313 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,315 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,318 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,320 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,322 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,325 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,327 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,329 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,331 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,334 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,336 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,339 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,341 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,343 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,346 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,349 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,352 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,354 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,357 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,359 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,362 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,364 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,366 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,369 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,371 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,373 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,376 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,378 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,381 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,383 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,385 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,387 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,389 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,392 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,394 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,396 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,398 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:08:45,400 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,401 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,404 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,406 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,409 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,412 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,414 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,416 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,418 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,421 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,423 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,426 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,428 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,430 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,433 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,435 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,437 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,440 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,442 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,444 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,447 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,449 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,452 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,454 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,456 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,458 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,461 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,463 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,465 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,467 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,470 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,472 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,474 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,476 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,478 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,481 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,483 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,485 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,487 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,490 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:08:45,492 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:08:45,494 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:08:45,496 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:08:45,499 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:08:45,501 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:08:45,504 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:08:45,506 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:08:45,508 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:08:45,510 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:08:45,512 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,513 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,516 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,518 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,520 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,522 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,525 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,527 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,529 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,531 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,533 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,536 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,538 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,540 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,542 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,545 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,547 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,549 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,551 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,554 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,556 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,558 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,560 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,563 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,565 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,567 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,569 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,571 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,573 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,575 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,577 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,579 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,581 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,583 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,586 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,588 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,590 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,592 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,594 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,597 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,599 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,601 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,603 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,606 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,608 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,610 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,612 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,614 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,617 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,619 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/48_cis-1_3_5-Hexatriene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,621 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,623 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,625 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:08:45,627 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,628 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,630 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,633 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,635 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,637 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,639 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,641 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,644 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,646 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,648 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,650 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,652 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,654 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,657 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,659 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,661 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,663 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,665 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,668 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,670 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,672 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,674 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,677 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,679 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,681 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,683 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,685 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,687 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,690 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,692 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,694 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,696 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,699 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,701 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,703 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,705 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,707 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,709 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,711 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,714 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,716 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:08:45,718 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,719 copying xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,721 copying xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,724 copying xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,726 copying xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,728 copying xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,730 copying xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,732 copying xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,734 copying xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,737 copying xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,739 copying xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,741 copying xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,743 copying xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,745 copying xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,747 copying xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,749 copying xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,751 copying xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,753 copying xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,756 copying xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:08:45,757 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,758 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,761 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,763 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,765 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,767 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,769 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,771 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,774 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,776 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,778 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,781 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,783 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,785 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,787 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,790 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,792 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,794 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,796 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,799 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,801 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,803 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,805 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,807 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,809 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,812 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,814 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,816 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,818 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,820 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,822 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,825 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,827 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,829 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,831 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,834 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,837 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,839 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,841 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,843 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,846 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,848 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,850 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,852 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,855 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,857 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,859 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,861 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,863 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,866 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,868 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,870 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,872 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,874 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,876 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,878 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,880 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,883 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,885 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,887 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,889 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,892 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,894 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,896 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,899 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,901 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,903 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,906 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,908 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,910 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,912 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,914 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,917 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,919 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,921 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,923 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,925 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,928 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,930 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,932 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,934 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,937 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,939 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,941 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,944 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,946 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,948 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,950 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,953 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,955 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,957 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,960 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,962 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,964 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,966 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,969 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,971 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,973 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,975 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,978 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,983 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,985 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,988 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,991 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,993 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,996 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:45,998 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,000 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,002 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,004 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,006 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,009 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,011 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,013 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,015 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,018 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,020 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,022 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,024 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,026 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,029 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,031 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,033 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,035 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,037 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,040 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,042 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,044 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,046 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,048 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,050 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,052 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,054 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,057 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,059 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,061 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,063 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,065 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,068 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,070 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,072 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,074 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,077 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,079 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,081 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,084 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,086 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,088 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,090 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,092 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,095 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,097 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,099 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,101 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,103 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,105 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,108 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,110 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,112 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,114 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,117 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,119 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,121 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,124 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,126 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,128 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,131 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,133 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,136 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,139 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,141 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,144 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,146 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,148 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,150 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,152 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,154 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,156 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,159 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,161 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,163 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,165 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,167 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,169 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,172 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,174 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,177 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,179 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,181 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,183 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,185 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,188 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,190 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,192 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,194 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,196 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,199 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,201 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,203 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,206 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,208 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,210 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,212 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,214 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,217 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,219 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,221 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,223 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,225 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,227 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,230 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,232 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,234 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,236 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,238 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,241 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,244 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,246 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,248 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,250 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,252 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,255 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,257 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,259 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,261 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,263 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,266 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,268 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,270 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,272 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,274 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,276 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,278 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,280 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,282 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,284 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,287 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,289 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,291 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,293 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,296 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,298 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,300 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,302 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,305 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,307 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,309 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,311 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,313 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,315 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,317 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,319 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,321 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,324 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,326 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,328 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,330 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,332 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,334 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,336 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,338 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,341 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,343 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,345 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,348 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,350 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,352 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,354 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,356 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,358 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,360 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,362 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,364 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,366 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,369 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,371 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,373 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:08:46,375 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,376 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,378 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,380 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,382 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,384 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,387 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,389 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,391 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,393 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,395 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,397 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,400 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,402 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,404 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,406 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,409 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,411 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,413 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,415 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,417 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,419 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,422 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,424 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,427 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,429 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,431 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,433 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,435 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,438 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,440 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,442 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:08:46,444 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,445 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,448 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,450 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,452 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,454 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,456 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,459 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,461 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,463 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,465 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,467 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,470 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,472 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,474 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,476 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,478 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,481 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,483 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,485 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,487 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,489 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,491 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,494 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,496 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,498 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,500 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,502 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,505 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,507 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,509 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,511 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,514 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,516 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,518 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,520 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,523 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,525 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,527 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,529 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,531 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,533 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,535 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,537 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,539 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,542 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,544 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,546 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,548 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,550 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,552 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,554 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,556 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,559 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,561 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,564 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,566 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,568 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,570 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,572 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,575 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,577 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,579 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,582 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,584 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,586 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,588 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,590 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,592 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,594 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,596 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,599 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,601 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,603 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,605 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,607 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,610 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,612 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,614 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,617 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,619 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,621 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,623 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,626 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,628 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,630 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,632 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,635 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,637 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,639 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,641 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,644 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,646 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,648 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,650 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,652 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,655 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,658 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,660 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,663 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,666 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,668 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,670 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,672 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,674 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,677 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,679 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,681 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,684 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,686 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,688 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,691 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,693 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,695 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,698 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,700 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,703 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,705 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,707 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,709 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,712 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,714 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,716 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,718 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,720 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,723 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,725 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,727 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,729 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,732 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,734 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,736 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,739 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,742 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,744 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,747 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,749 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,751 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,754 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,756 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,758 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,761 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,763 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,765 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,767 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,770 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,772 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,774 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,776 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,778 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,781 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,783 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,785 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,787 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,790 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,792 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,794 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,797 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,799 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,801 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,804 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,806 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,808 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,811 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,813 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,815 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,817 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,820 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,822 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,824 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,826 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,829 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,831 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,833 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,835 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,837 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,839 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,842 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,844 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,846 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,849 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,851 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,853 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,856 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,858 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,860 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,862 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,865 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,867 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,869 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,872 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,874 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,876 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,879 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,881 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,883 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,885 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,888 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,890 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,892 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,895 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,897 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,899 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,901 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,904 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,906 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,909 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,911 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,913 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,916 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,918 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,920 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,923 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,925 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,927 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,930 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,932 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,934 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,937 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,939 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,941 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,944 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,946 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,948 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,951 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,953 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,955 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,958 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,960 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,962 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,964 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,967 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,969 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,971 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,974 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,976 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,978 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,981 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,983 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,985 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,987 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,990 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,992 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,994 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,997 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:46,999 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,001 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,004 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,006 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,008 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,010 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,013 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,015 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,018 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,020 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,022 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,024 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,027 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,029 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,032 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,034 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,036 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,038 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,041 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,043 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,046 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,048 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,050 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,053 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,055 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,058 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,060 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,062 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,065 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,067 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,069 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,071 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,073 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,076 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,078 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,080 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,082 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,085 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,087 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,089 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,092 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,094 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,096 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,099 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,101 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,103 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,106 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,108 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,110 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,112 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,115 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,117 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,120 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,123 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,125 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,127 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,129 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,132 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,134 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,136 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,138 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,140 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,143 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,145 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,147 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,150 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,152 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,154 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,157 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,159 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,161 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,164 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,166 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,169 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,171 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,173 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,176 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,178 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,181 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,183 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,185 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,187 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,189 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,191 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,194 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,196 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,198 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,200 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,203 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,205 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,207 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,210 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,212 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,215 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,217 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,219 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,221 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,224 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,226 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,228 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,231 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,233 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,235 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,238 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,240 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,242 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,244 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,247 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,249 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,251 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,253 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,255 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,258 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,260 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,262 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,265 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,267 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,270 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,272 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,275 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,277 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,279 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,282 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,284 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,287 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,289 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,292 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,294 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,296 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,299 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,301 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,303 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,305 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,308 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,310 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,312 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,314 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,316 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,318 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,320 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,323 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,325 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,327 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,329 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,332 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,334 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,336 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,339 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,341 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,343 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,345 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,347 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,350 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,352 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,354 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,356 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,359 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,361 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,363 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,365 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,367 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,369 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,372 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,374 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,376 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,378 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,380 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,382 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,385 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,387 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,389 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,392 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,394 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,396 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,398 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,401 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,403 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,405 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,407 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,410 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,412 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,414 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,416 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,419 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,421 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,423 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,426 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,428 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,430 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,432 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,434 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,436 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,439 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,441 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,444 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,446 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,448 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,451 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,453 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,455 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,458 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,460 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,462 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,465 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,467 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,469 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,471 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,474 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,476 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,479 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,481 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,484 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,487 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,489 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,492 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,494 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,496 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,498 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,501 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,503 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,505 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,507 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,510 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,512 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,515 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,517 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,519 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,521 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,524 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,526 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,528 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,531 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,533 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,536 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,539 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,542 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,545 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,547 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,549 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,551 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,553 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,556 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,558 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,560 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,563 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,565 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,568 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,570 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,572 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,574 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,577 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,579 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,581 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,584 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,586 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,588 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,591 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,593 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,596 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,598 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,601 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,603 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,606 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,608 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,610 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,612 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,615 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,617 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,619 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,621 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,624 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,626 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,628 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,630 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,633 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:08:47,636 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,638 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,643 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,646 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,648 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,651 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,653 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,655 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,658 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,660 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,662 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,665 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,667 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,669 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,671 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,674 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,676 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,679 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,685 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:08:47,687 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:08:47,688 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:08:47,690 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:08:47,693 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:08:47,695 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:08:47,697 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:08:47,699 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:08:47,702 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:08:47,704 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:08:47,706 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:08:47,708 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:08:47,711 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:08:47,713 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:08:47,715 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:08:47,718 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:08:47,720 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:08:47,722 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:08:47,724 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,725 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,728 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,730 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,732 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,734 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,737 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,739 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,741 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,743 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,745 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,747 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,749 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,752 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,754 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,756 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,759 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,761 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,763 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,765 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,768 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,770 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,772 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,774 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,777 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,779 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,781 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,783 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,786 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,788 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,790 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,793 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,795 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,798 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,801 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,804 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,806 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,808 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,811 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,813 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,815 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,817 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,819 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,821 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,824 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,826 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,828 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,830 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,833 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,835 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,837 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:08:47,839 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:08:47,840 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:08:47,843 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:08:47,845 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:08:47,847 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:08:47,850 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:08:47,852 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:08:47,855 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:08:47,857 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:08:47,860 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:08:47,862 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:08:47,864 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:08:47,867 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:08:47,869 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:08:47,871 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:08:47,873 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:08:47,875 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:08:47,877 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,879 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,881 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,883 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,885 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,888 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,890 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,892 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,895 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,897 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,900 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,902 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,905 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,907 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,910 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,912 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,914 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,917 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,919 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,922 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,924 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,926 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,929 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,931 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,933 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,936 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,938 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,940 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,942 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,945 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,947 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,949 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:08:47,951 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:08:47,953 copying xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:08:47,955 copying xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:08:47,957 copying xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:08:47,960 copying xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:08:47,962 copying xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:08:47,965 copying xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:08:47,967 copying xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:08:47,969 copying xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:08:47,972 copying xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:08:47,974 copying xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:08:47,976 copying xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:08:47,979 copying xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:08:47,981 copying xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:08:47,983 copying xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:08:47,986 copying xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:08:47,988 copying xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:08:47,990 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:47,992 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:47,995 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:47,997 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,000 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,002 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,004 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,006 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,009 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,011 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,013 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,015 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,018 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,020 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,022 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,025 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,028 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,030 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,033 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,035 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,037 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,040 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,042 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,044 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,047 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,049 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,051 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,054 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,056 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,065 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,072 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,079 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,087 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,093 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,095 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,097 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,099 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,102 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,105 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,107 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,109 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,111 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,114 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,116 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,118 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,120 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,123 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,125 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,127 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,129 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,132 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,134 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,136 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,138 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,141 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,143 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,145 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,148 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,150 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,152 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,154 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,156 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,158 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,161 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,163 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,165 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,167 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,169 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,172 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,174 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,176 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,179 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,181 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,183 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,185 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,187 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,190 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,192 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,194 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,196 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,198 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,201 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,203 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,205 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,207 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,209 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,212 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,214 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,216 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,218 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,220 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,223 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,225 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,227 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,229 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,231 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,233 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,235 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,238 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,240 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,242 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,244 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:08:48,246 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,247 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,250 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,252 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,254 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,257 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,259 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,261 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,263 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,266 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,268 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,270 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,272 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,275 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,277 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,279 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,281 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,283 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,285 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,288 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,290 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,292 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,294 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,296 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,298 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,300 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,303 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:08:48,305 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,306 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,308 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,310 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,313 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,315 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,317 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,319 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,321 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,324 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,326 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,328 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,331 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,335 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,337 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,339 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,342 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,344 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,346 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,348 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,350 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,352 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,354 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,356 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,359 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,361 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,363 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,365 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,367 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,370 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,372 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,374 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,376 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,378 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,380 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,383 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,385 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,387 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,389 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,392 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,394 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,396 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,398 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,401 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,403 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,405 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,407 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,409 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,411 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:08:48,413 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,415 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,417 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,419 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,422 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,424 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,426 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,429 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,431 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,433 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,435 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,438 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,440 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,443 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,445 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,447 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,450 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,452 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,454 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,456 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,459 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,461 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,463 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,465 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,467 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,469 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,471 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,474 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,476 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,478 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,480 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,482 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,484 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,487 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,489 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,491 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,493 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,496 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,498 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,500 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,502 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,505 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,507 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,509 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,511 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:08:48,514 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,515 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,517 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,519 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,522 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,524 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,526 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,529 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,531 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,533 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,535 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,537 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,540 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,542 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,544 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,546 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,548 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,550 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,553 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,555 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,557 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,559 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,562 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,564 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,566 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,568 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,570 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,573 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,575 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,577 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,580 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,582 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,584 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,586 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,589 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,591 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,593 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,596 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,600 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,602 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,606 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,608 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,610 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,612 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,614 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,616 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,619 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,621 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,623 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,625 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,627 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,630 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,632 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,634 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,636 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,639 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,641 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,643 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,645 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,647 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,650 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,652 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,654 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,657 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,659 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,661 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,663 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,665 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,668 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,670 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,672 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,674 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,676 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,678 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,681 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,683 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,685 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,687 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,690 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,692 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,694 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,696 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,699 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,701 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,703 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,705 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,708 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,710 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,712 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,714 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,717 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,719 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,721 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,723 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,726 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,728 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,730 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,732 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,735 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,737 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,739 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,741 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,743 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,746 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,748 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,750 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,753 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,755 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,757 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,759 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,761 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,764 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,766 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,768 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,770 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,773 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,775 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,777 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,779 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,782 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,784 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,786 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,789 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,791 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,793 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,795 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,798 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,800 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,802 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,805 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,807 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,809 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,811 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,813 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,816 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,818 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,820 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,822 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,825 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,828 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,830 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,832 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,835 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,837 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,839 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,842 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,844 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,847 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,849 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,851 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,854 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,856 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,858 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,861 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,863 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,865 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,867 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,870 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,875 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,877 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,879 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,881 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,884 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,886 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,888 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,890 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,893 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,895 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,897 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,899 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,902 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,904 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,907 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,909 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,911 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,913 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,916 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,918 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,921 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,923 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,926 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,928 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,930 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,933 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,935 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,937 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,939 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,942 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,944 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,946 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,949 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,951 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,953 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,956 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,958 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,960 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,962 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,965 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,967 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,969 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,972 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,974 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,976 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,979 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,981 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,983 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,986 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,988 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,990 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,992 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,995 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,997 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:48,999 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,001 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,004 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,006 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,008 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,011 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,013 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,015 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,018 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,020 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,022 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,025 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,027 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,029 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,031 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,034 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,036 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,038 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,041 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,043 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,045 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,047 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,050 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,052 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,055 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,057 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,059 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,062 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,064 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,066 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,068 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,070 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,073 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,075 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,077 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,080 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,082 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,084 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,086 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,089 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,091 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,094 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,096 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,099 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,101 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,103 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,105 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,107 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,110 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,112 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,114 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,117 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,119 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,121 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,124 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,126 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,128 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,130 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,133 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,135 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,137 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,140 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,142 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,144 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,146 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,149 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,151 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,154 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,156 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,160 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,162 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,164 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,167 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,169 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,171 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,173 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,176 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,178 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,180 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,183 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,185 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,187 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,189 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,192 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,194 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,196 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,198 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,201 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,203 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,205 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,207 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,209 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,212 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,214 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,216 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,218 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,221 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,223 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,225 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,227 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,230 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,232 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,234 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,237 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,239 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,241 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,244 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,246 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,248 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,250 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,253 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,255 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,257 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,260 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,262 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,264 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,266 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,269 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,271 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,273 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,275 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,278 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,281 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,283 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,285 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,287 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,290 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,292 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,294 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,296 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,299 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,301 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,303 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,305 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,308 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,310 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,312 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,315 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,317 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,319 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,321 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,324 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,326 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,328 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,330 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,332 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,334 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,336 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,338 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,341 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,343 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,345 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,347 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,349 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,352 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,354 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,356 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,358 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,361 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,363 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,365 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,368 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,370 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,373 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,376 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,379 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,381 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,384 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,386 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,388 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,391 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,394 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,396 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,398 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,401 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,403 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,406 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,409 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,411 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,414 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,416 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,419 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,422 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,425 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,440 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,446 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,449 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,451 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,454 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,457 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,459 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,462 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,465 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,467 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,470 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,472 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,475 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,477 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,479 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,482 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,484 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,486 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,489 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,491 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,494 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,496 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,499 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,501 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,503 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,506 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,508 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,510 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,512 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,514 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,517 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,519 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,521 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,523 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,526 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,528 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,530 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,532 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,535 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,537 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,539 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,541 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,544 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,546 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,548 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,550 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,553 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,555 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,557 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,559 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,561 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,564 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,566 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,568 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,570 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,573 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,575 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,577 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,579 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,582 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,584 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,586 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,588 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,591 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,593 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,595 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,598 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,600 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,602 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,604 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,607 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,609 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,611 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,613 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,616 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,618 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,620 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,622 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,624 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,627 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,630 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,632 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,635 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,637 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,639 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,641 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,643 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,646 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,648 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,650 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,653 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,655 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,657 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,659 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,662 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,664 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,666 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,668 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,671 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,673 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,675 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,678 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,680 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,682 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,684 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,687 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,689 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,691 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,693 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,696 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,698 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,700 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,702 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,705 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,707 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,710 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,715 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,720 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,722 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,724 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,726 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,729 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,731 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,733 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,735 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,737 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,740 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,742 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,744 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,746 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,749 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,751 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,753 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,755 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,758 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,760 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,762 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,764 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,767 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,769 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,771 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,774 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,776 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,778 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,780 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,782 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,785 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,787 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,789 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,791 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,794 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,796 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,798 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,800 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,803 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,805 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,807 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,809 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,811 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,814 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,816 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,818 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,820 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,823 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,825 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,827 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,829 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,831 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,834 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,836 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,838 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,840 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,842 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,845 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,847 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,849 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,851 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,854 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:08:49,856 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:08:49,857 copying xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:08:49,860 copying xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:08:49,862 copying xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:08:49,865 copying xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:08:49,867 copying xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:08:49,869 copying xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:08:49,871 copying xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:08:49,874 copying xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:08:49,876 copying xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:08:49,878 copying xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:08:49,880 copying xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:08:49,883 copying xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:08:49,885 copying xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:08:49,887 copying xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:08:49,889 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,891 copying xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,893 copying xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,895 copying xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,897 copying xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,900 copying xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,902 copying xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,904 copying xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,906 copying xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,908 copying xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,911 copying xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,913 copying xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,915 copying xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,918 copying xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,920 copying xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,922 copying xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,924 copying xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,927 copying xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,929 copying xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,931 copying xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,933 copying xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,936 copying xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:08:49,938 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:08:49,939 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:08:49,941 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:08:49,944 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:08:49,946 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:08:49,948 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:08:49,950 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:08:49,952 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:08:49,955 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:08:49,957 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:08:49,959 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:08:49,961 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:08:49,964 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:08:49,966 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:08:49,968 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:08:49,970 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:49,971 copying xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:49,973 copying xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:49,976 copying xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:49,978 copying xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:49,980 copying xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:49,982 copying xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:49,985 copying xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:49,987 copying xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:49,990 copying xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:49,992 copying xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:49,995 copying xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:49,998 copying xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,001 copying xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,004 copying xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,006 copying xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,008 copying xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,010 copying xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,012 copying xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,015 copying xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,017 copying xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,019 copying xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,021 copying xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,023 copying xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,026 copying xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,028 copying xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,030 copying xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,032 copying xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,034 copying xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,037 copying xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,039 copying xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,041 copying xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,043 copying xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,046 copying xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,048 copying xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,050 copying xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:08:50,052 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,053 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,055 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,058 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,060 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,062 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,064 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,067 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,069 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,071 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,074 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,076 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,078 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,080 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,082 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,085 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,087 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,089 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,091 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,093 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,096 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,098 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,100 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,102 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,105 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,107 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,110 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,112 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,114 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,116 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,118 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,120 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,123 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,125 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,127 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,129 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,131 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,134 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,136 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,138 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,140 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,142 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,144 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,147 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,149 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,151 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,153 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,155 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,157 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,159 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,161 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,164 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,166 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,168 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,170 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,173 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,175 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,177 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,179 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,182 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,184 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,186 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,188 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,191 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,193 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,195 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,197 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,199 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,202 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,204 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,206 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,208 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,210 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,212 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,214 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,217 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,219 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,221 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,224 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,226 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,228 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,230 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,232 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,235 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,237 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,239 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,242 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,244 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,246 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,248 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,250 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,253 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,255 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,257 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,260 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,262 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,265 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,267 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,269 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,271 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,273 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,276 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,278 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,280 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,282 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,285 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,287 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,290 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,292 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,297 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,299 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,301 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,304 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,307 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,309 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,311 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,314 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,316 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,318 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,320 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,323 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:08:50,325 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,326 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,328 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,330 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,332 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,335 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,337 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,339 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,341 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,343 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,345 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,347 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,349 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,352 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,354 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,356 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,358 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,361 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,363 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,365 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,367 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,369 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,372 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,374 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,376 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,378 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,380 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,383 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,385 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,387 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,390 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,392 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,394 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,396 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,398 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,400 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,402 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,404 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,407 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,409 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,411 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,413 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,415 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,417 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,420 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,422 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,424 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,426 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,429 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,431 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,433 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,435 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,437 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,439 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,442 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,444 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,446 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,448 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,450 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,453 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,455 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,459 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,461 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,463 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,465 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,467 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,470 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,472 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,474 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,477 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,479 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,481 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,483 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,486 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,488 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,490 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,492 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,495 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,497 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,499 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,502 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,504 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,506 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,508 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,510 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,513 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,515 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,517 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,519 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,521 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,524 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,526 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,528 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,530 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,532 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,535 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,537 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,539 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,541 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,543 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,546 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,548 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,550 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,552 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,555 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,557 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,559 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,561 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,563 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,565 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,567 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,569 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,572 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,574 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,576 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,579 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,581 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,583 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,585 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,587 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,590 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,592 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,594 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,596 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,599 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,601 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,603 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,605 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,608 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,610 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,613 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,615 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,617 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,619 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,621 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,623 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,626 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,628 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,630 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,632 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,635 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,637 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,639 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,641 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,644 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,646 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,648 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,650 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,653 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,655 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,657 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,659 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,661 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,664 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,666 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,668 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,671 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,673 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,675 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,677 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,679 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,681 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,684 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,687 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,689 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,691 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,694 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,696 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,698 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,700 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,703 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,705 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,707 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,710 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,712 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,715 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,718 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,720 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,723 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,725 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,727 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,729 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,732 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,734 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,736 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,738 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,740 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,742 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,745 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,747 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,750 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,752 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,754 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,756 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,758 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,760 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,763 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,765 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,767 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,770 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,772 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,774 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,777 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,779 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,782 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,784 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,786 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,788 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,791 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,793 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,795 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:08:50,797 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,798 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/192_BzH2S-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,801 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/182_BzBz_T-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,803 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/229_MeMe-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,805 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/260_PyPy_S2-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,808 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/161_BzBz_S-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,810 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/268_PyPy_T3-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,812 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/183_BzBz_T-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,815 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/168_BzBz_S-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,817 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/198_BzH2S-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,819 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/110_BzBz_PD32-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,821 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/273_PyPy_T3-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,824 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,826 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/194_BzH2S-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,828 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/223_BzMe-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,830 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/151_BzBz_PD36-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,832 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/269_PyPy_T3-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,835 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,837 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/108_BzBz_PD32-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,839 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/120_BzBz_PD34-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,842 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/233_MeMe-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,844 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/283_PyPy_T3-8p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,846 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/105_BzBz_PD32-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,848 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,850 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/248_PyPy_S2-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,852 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/237_MeMe-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,854 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/256_PyPy_S2-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,856 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/276_PyPy_T3-5p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,859 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/199_BzH2S-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,861 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/187_BzBz_T-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,863 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,865 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/202_BzH2S-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,867 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,869 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/188_BzBz_T-7p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,872 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/106_BzBz_PD32-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,874 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/126_BzBz_PD34-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,877 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/225_BzMe-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,879 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,881 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,883 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/220_BzMe-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,885 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/272_PyPy_T3-4p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,887 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/250_PyPy_S2-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,890 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,892 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/167_BzBz_S-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,894 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,896 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,899 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,901 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,903 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/217_BzMe-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,905 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/262_PyPy_S2-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,907 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/253_PyPy_S2-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,909 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/205_BzH2S-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,912 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/259_PyPy_S2-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,914 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/263_PyPy_S2-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,916 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/195_BzH2S-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,918 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/219_BzMe-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,920 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/144_BzBz_PD36-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,923 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/127_BzBz_PD34-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,925 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,927 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,929 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/278_PyPy_T3-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,931 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/164_BzBz_S-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,933 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/114_BzBz_PD32-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,936 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/175_BzBz_T-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,938 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/234_MeMe-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,940 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/241_MeMe-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,942 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,945 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/252_PyPy_S2-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,947 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/211_BzMe-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,950 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/270_PyPy_T3-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,952 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/133_BzBz_PD34-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,954 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/113_BzBz_PD32-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,956 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,959 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,961 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/112_BzBz_PD32-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,964 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/230_MeMe-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,966 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/216_BzMe-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,968 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/222_BzMe-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,970 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/184_BzBz_T-5p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,972 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/156_BzBz_S-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,975 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/129_BzBz_PD34-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,977 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/136_BzBz_PD34-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,979 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/281_PyPy_T3-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,981 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/227_BzMe-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,984 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,986 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/206_BzH2S-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,988 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/193_BzH2S-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,990 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/271_PyPy_T3-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,993 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/121_BzBz_PD34-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,995 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/238_MeMe-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:50,997 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/140_BzBz_PD36-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,000 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/204_BzH2S-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,002 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/158_BzBz_S-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,004 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/117_BzBz_PD32-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,007 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/201_BzH2S-4p75_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,009 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/179_BzBz_T-5p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,011 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/157_BzBz_S-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,014 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/274_PyPy_T3-5p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,016 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/159_BzBz_S-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,019 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/169_BzBz_S-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,021 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/210_BzMe-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,023 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/191_BzH2S-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,026 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/102_BzBz_PD32-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,028 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,030 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/131_BzBz_PD34-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,032 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/132_BzBz_PD34-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,034 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/264_PyPy_S2-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,037 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/149_BzBz_PD36-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,039 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/173_BzBz_T-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,041 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/235_MeMe-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,043 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,046 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,049 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/257_PyPy_S2-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,051 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,054 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/212_BzMe-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,058 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/122_BzBz_PD34-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,060 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/244_MeMe-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,063 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/255_PyPy_S2-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,066 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/247_PyPy_S2-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,069 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,072 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/203_BzH2S-5p25_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,075 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/177_BzBz_T-4p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,078 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/265_PyPy_S2-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,081 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/236_MeMe-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,084 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/107_BzBz_PD32-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,086 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/267_PyPy_T3-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,089 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,092 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,095 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/279_PyPy_T3-5p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,098 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,101 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/254_PyPy_S2-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,104 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/170_BzBz_S-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,107 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/196_BzH2S-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,110 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/118_BzBz_PD32-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,112 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/125_BzBz_PD34-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,115 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/111_BzBz_PD32-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,117 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/240_MeMe-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,119 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/130_BzBz_PD34-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,121 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/213_BzMe-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,123 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/277_PyPy_T3-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,126 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/166_BzBz_S-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,128 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/152_BzBz_PD36-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,130 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/162_BzBz_S-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,133 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/249_PyPy_S2-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,135 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/171_BzBz_S-10p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,137 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/189_BzBz_T-8p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,140 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/174_BzBz_T-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,142 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/138_BzBz_PD36-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,144 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/128_BzBz_PD34-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,147 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/231_MeMe-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,149 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/163_BzBz_S-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,152 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/134_BzBz_PD34-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,154 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/146_BzBz_PD36-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,156 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/165_BzBz_S-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,159 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/141_BzBz_PD36-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,161 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/185_BzBz_T-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,163 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,165 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/243_MeMe-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,167 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/178_BzBz_T-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,170 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/139_BzBz_PD36-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,172 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/275_PyPy_T3-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,174 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/150_BzBz_PD36-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,176 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/143_BzBz_PD36-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,179 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,181 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/154_BzBz_PD36-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,183 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/104_BzBz_PD32-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,186 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,189 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/116_BzBz_PD32-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,192 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/242_MeMe-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,195 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/197_BzH2S-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,198 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/186_BzBz_T-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,200 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/124_BzBz_PD34-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,203 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/181_BzBz_T-5p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,206 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/176_BzBz_T-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,209 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,211 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/239_MeMe-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,215 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/160_BzBz_S-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,218 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/232_MeMe-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,221 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,224 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/208_BzH2S-7p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,227 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/135_BzBz_PD34-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,229 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/180_BzBz_T-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,231 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/284_PyPy_T3-9p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,233 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/251_PyPy_S2-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,236 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/226_BzMe-5p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,239 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/109_BzBz_PD32-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,243 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,248 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/103_BzBz_PD32-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,252 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/282_PyPy_T3-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,255 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,257 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/142_BzBz_PD36-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,260 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/221_BzMe-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,264 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/147_BzBz_PD36-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,267 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/207_BzH2S-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,270 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/123_BzBz_PD34-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,274 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/148_BzBz_PD36-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,278 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/145_BzBz_PD36-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,281 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,284 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/218_BzMe-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,286 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/280_PyPy_T3-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,289 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/258_PyPy_S2-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,291 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,293 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/115_BzBz_PD32-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,295 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/153_BzBz_PD36-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,298 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/261_PyPy_S2-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:08:51,300 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,301 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,303 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,306 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,308 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,310 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,312 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,314 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,317 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,319 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,321 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,323 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,326 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,328 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,330 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,332 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,334 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,336 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,339 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,341 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,343 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,345 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,347 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,350 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,352 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,354 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,356 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,359 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,361 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,363 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,365 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,367 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,369 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,372 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,374 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,377 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,379 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,382 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,384 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,386 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,388 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,390 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,393 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,395 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,397 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,399 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,402 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,404 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,406 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,409 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,411 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,414 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,416 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,418 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,420 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,422 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,425 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:08:51,427 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,428 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,430 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,432 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,434 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,437 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,439 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,441 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,443 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,446 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,448 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,450 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,453 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,455 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,457 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,460 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,462 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,464 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,466 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,469 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,471 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,473 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,475 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,478 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,480 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,482 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,484 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,487 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,489 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,491 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,494 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,496 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,499 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,501 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,503 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,506 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,508 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,510 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,512 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,515 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,517 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,519 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,521 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,523 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,526 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,528 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,530 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:08:51,532 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,534 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,536 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,538 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,540 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,543 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,545 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,547 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,549 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,551 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,554 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,556 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,558 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,560 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,562 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,564 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,566 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,569 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,571 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,573 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,575 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,577 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,579 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,581 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,584 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,586 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,588 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,590 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,592 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,595 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,597 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,599 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,602 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,604 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:08:51,606 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,607 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,609 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,612 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,614 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,616 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,618 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,620 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,622 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,625 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,627 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,629 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,631 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,633 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,636 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,638 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,640 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,643 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,645 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,648 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,650 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,652 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,655 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,657 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,659 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,661 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,664 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,666 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,668 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,670 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,672 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,674 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,677 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,679 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,681 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,683 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,685 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,688 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,690 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,692 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,695 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,697 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,700 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,702 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,704 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,706 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,708 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,711 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,713 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,715 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,718 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,720 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,722 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,725 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,727 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,729 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,731 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,734 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,736 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,738 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,740 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,742 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,745 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,747 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,749 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,752 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,754 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,756 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,758 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,760 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,763 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,765 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,767 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,769 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,772 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,774 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,776 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,778 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,781 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,783 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,785 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,787 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,789 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,791 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,793 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,796 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,798 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,800 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,802 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,804 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,807 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,809 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,811 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,814 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,816 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,818 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,820 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,823 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,825 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,827 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,829 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,832 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,834 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,836 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,839 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,841 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,843 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,845 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,848 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,850 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,853 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,855 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,858 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,861 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,863 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,866 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,869 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,871 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,874 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,876 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,878 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,880 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,882 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,885 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,887 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,889 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,891 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,894 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,896 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,898 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,900 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,903 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,911 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,915 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,917 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,920 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,922 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,924 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,926 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,929 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,931 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,933 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,935 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,937 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,940 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,942 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,944 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,947 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,949 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,951 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,953 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,956 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,958 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,960 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,962 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,964 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,966 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,969 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,971 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,973 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,975 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,977 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,979 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,981 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,984 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,986 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,988 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,991 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,993 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,995 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:51,998 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,000 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,002 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,005 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,007 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,009 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,011 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,014 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,016 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,018 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,021 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,023 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,025 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,027 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,030 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,032 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,034 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,037 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,039 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,041 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,044 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,046 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,048 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,051 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,053 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,055 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,058 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,060 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,062 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,065 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,067 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,069 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,072 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,074 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,076 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,078 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,080 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,082 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,085 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,087 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,090 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,092 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,094 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,096 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,099 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,101 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,104 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,106 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,108 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,111 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,113 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,115 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,118 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,120 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,122 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,125 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,127 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,129 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,131 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,134 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,136 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,138 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,140 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,142 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,144 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,147 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,149 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,151 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,153 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,156 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,158 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,160 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,163 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,165 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,167 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,169 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,172 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,174 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,176 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,179 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,181 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,183 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,186 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,188 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,190 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,192 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,194 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,196 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,198 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,201 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,203 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,205 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,208 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,210 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,212 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,215 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,217 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,220 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,223 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,225 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,227 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,230 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,232 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,234 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,237 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,239 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,242 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,244 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,246 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,248 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,250 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,252 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,255 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,257 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,260 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,262 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,265 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,268 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,271 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,274 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,276 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,279 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,282 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,285 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,288 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,290 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,293 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,296 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,299 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,302 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,305 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,307 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,310 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,313 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,316 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,318 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,321 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,324 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,326 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,329 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,332 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,335 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,338 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,341 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,344 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,346 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,349 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,352 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,355 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,357 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,360 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,362 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,364 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,367 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,369 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,372 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,374 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,377 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,379 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,381 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,383 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,386 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,388 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,391 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,394 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,396 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,398 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,400 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,402 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,405 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,407 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,409 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,412 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,414 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,416 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,418 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,421 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,423 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,425 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,427 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,430 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,432 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,435 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,437 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,439 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,441 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,443 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,445 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,447 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,450 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,452 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,454 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,456 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,458 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,460 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,463 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,465 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,468 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,470 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,474 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,477 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,479 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,481 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,484 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,486 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,488 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,491 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,493 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,495 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,497 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,499 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,502 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,504 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,506 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,508 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,510 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,513 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,515 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,517 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,519 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,522 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,524 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,526 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,528 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,531 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,533 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,535 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,538 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,540 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,542 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,544 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,547 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,549 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,551 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,554 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,556 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,558 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,560 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,562 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,565 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,567 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,569 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,571 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,574 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,576 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:08:52,578 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,579 copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,582 copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,584 copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,587 copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,589 copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,592 copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,595 copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,597 copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,599 copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,602 copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,604 copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,606 copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,609 copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,611 copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,614 copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,616 copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,618 copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,620 copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,622 copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,625 copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,627 copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,629 copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,631 copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,633 copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,635 copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,637 copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,639 copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,641 copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,644 copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,646 copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,648 copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,651 copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,653 copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,655 copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,658 copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,660 copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,662 copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,665 copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,667 copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,670 copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,672 copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,674 copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,677 copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,679 copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,681 copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,683 copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,686 copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,688 copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,690 copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,692 copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,695 copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,697 copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,699 copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,702 copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,704 copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,706 copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,709 copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,711 copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,713 copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,716 copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,718 copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,720 copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,722 copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:08:52,724 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,726 copying xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,728 copying xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,731 copying xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,733 copying xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,736 copying xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,738 copying xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,740 copying xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,743 copying xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,745 copying xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,747 copying xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,749 copying xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,751 copying xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,753 copying xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,755 copying xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,758 copying xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,760 copying xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,762 copying xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,765 copying xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,767 copying xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,769 copying xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,771 copying xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,774 copying xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,776 copying xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,778 copying xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,780 copying xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,783 copying xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:08:52,785 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,786 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,788 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,791 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,793 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,796 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,798 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,800 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,803 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,805 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,807 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,809 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,812 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,814 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,816 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,818 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,821 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,823 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,825 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,828 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,830 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,832 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,834 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,836 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,839 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,841 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,844 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,846 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,848 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,851 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,853 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,855 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,858 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,860 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,862 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,865 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,867 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,869 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,871 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,874 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,876 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,878 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,880 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,883 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,885 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,888 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,890 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,892 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,895 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:08:52,897 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:08:52,898 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:08:52,901 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:08:52,903 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:08:52,906 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:08:52,908 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:08:52,910 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:08:52,913 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:08:52,915 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:08:52,917 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:08:52,920 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:08:52,922 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:08:52,924 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,925 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,928 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,930 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,932 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,934 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,936 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,938 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,941 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,943 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,946 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,949 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,951 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,954 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,957 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,960 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,964 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,967 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,969 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,972 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,975 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,978 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,981 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,983 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,986 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,989 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,991 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,994 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,996 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:52,999 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:53,002 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:53,004 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:53,007 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:53,010 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:53,012 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:53,015 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:53,018 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:53,020 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:53,023 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:53,026 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:08:53,029 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,030 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,033 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,036 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,039 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,041 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,044 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,047 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,049 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,052 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,055 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,058 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,060 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,063 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,066 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,070 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,073 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,077 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,080 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,083 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,087 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,090 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,094 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,097 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,100 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,104 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,107 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,110 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,113 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,117 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,120 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,124 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,127 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,130 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,134 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,137 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,141 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,144 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,147 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,150 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,153 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,157 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,160 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,163 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,166 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,168 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,171 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,174 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,176 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,179 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,181 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,184 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,186 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,189 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,191 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,194 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,196 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,199 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,201 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,204 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,207 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,209 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,212 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,215 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,217 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,220 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,222 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,225 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,228 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,231 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,233 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,236 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,238 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,241 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,244 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,247 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,249 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,252 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,255 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,257 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,260 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,263 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,266 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,268 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,271 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,274 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,277 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,280 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,282 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,285 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,288 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,291 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,294 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,296 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,299 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,302 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,304 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,307 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,310 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,312 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,315 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,318 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,321 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,323 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,326 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,329 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,332 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,335 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,338 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,341 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,345 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,348 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,352 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,355 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,358 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,361 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,364 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,367 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,371 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,374 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,378 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,380 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,383 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,386 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,389 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,393 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,396 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,399 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,402 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,406 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:08:53,409 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,411 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,414 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,417 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,421 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,424 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,427 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,430 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,432 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,435 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,438 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,441 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,443 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,446 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,449 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,451 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,454 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,456 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,459 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,461 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,464 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,467 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,469 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,472 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,474 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,477 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,480 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,482 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,485 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,487 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,490 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,493 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,496 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,499 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,502 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,505 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,507 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,510 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,512 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,515 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,518 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,521 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,523 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,526 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,528 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,531 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,533 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,536 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,539 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,541 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,544 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,546 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,549 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,552 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,554 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,557 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,560 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,562 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,565 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,567 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,570 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,573 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,576 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,578 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,581 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,583 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,586 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,588 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,591 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,594 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,596 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,599 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,601 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,604 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,606 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,609 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,611 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,614 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,617 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,619 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,622 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,624 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,627 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,629 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,632 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,634 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,637 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,639 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,642 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,645 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,647 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,650 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,653 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,655 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,658 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,660 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,663 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,666 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,668 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,670 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,673 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,676 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,678 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,681 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,683 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,686 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,688 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,691 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,693 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,696 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,698 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,701 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,704 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,706 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,709 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,711 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,714 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,716 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,719 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,721 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,724 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,726 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,729 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,731 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,734 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,736 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,738 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,741 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,743 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,746 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,748 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,751 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,753 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,756 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,758 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,761 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,763 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,766 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,769 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,771 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,774 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,777 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,780 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,782 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,784 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,787 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,789 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,792 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,795 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,797 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,800 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,802 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,805 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,808 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,810 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,813 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,816 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,819 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,822 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,824 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,827 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,830 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,832 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,835 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,838 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,840 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,843 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,846 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,848 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,851 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,854 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,857 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,859 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,862 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,865 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,868 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,871 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,873 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,876 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,878 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,881 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,884 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,886 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,889 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,891 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,894 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,897 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,900 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,903 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,906 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,909 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,911 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,914 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,917 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,920 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,922 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,925 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,928 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,930 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,933 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,936 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,938 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,941 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,944 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,946 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,949 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,952 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,954 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,957 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,960 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,962 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,965 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,968 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,971 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,973 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,976 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,979 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,982 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,985 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,987 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,990 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,993 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,995 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:53,998 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,000 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,003 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,006 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,008 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,011 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,013 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,016 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,018 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,021 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,024 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,027 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,029 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,032 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,035 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,037 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,040 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,043 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,045 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,048 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,050 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,053 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,056 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,058 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,061 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,063 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,066 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,069 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,071 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,074 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,076 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,079 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,082 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,084 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,087 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,090 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,092 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,095 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,098 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,100 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,103 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,106 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,108 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,111 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,114 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,117 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,120 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,122 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,125 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,127 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,130 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,132 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,135 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,138 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,140 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,143 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,145 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,147 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,149 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,152 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,154 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,156 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,159 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,161 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,163 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,165 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,167 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,170 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,172 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,174 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,176 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,179 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:08:54,181 creating build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,182 copying xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,186 copying xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,189 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,191 copying xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,193 copying xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,196 copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,198 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,200 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,203 copying xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,206 copying xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,208 copying xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,210 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,213 copying xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,215 copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,217 copying xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,220 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,222 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,224 copying xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,227 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,230 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,234 copying xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,237 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,240 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,242 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,244 copying xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,247 copying xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,249 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,252 copying xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,254 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,257 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,259 copying xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,261 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,263 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,266 copying xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,268 copying xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,270 copying xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,272 copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,274 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,276 copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,279 copying xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,281 copying xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,283 copying xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,286 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,289 copying xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,292 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,295 copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,297 copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,299 copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,302 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,304 copying xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,310 copying xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,312 copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,315 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,318 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,320 copying xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,322 copying xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,325 copying xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,328 copying xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,330 copying xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,332 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,335 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,337 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,340 copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,343 copying xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,346 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,348 copying xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,351 copying xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,354 copying xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,356 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,359 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,361 copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,363 copying xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,367 copying xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,370 copying xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,372 copying xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,374 copying xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,377 copying xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,380 copying xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:08:54,382 copying xcbm/MGCDB84_Dataset/DatasetEval.csv -> build/lib/xcbm/MGCDB84_Dataset 2025-08-31T10:08:54,394 creating build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,395 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,398 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_C60ISO.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,400 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,402 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISOL24.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,404 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,406 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,408 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,411 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,413 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PCONF21.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,415 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,417 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,419 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,422 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,424 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,426 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,429 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RC21.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,431 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SCONF.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,433 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,435 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,437 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,439 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,441 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IDISP.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,444 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,446 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_NBPRC.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,448 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,450 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,452 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,455 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,457 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DARC.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,459 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,461 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,464 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,466 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,468 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S22.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,470 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,473 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,475 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,477 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,480 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,482 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,485 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_UPU23.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,487 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,489 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MCONF.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,492 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,494 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,496 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,499 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PArel.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,501 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,504 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,506 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,509 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,512 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SLIM05.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,514 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,517 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DC13.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,519 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,521 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:08:54,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RC21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,555 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,578 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DC13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:08:54,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALK8.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AL2X6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CARBHB12.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RC21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DC13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ADIM6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S22.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PArel.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,763 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:08:54,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_Amino20x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PArel.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,795 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ACONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,808 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,815 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BSR36.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S22.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CDIE20.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,866 creating build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,868 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,871 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALK8.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,874 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,877 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_Amino20x4.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,879 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AL2X6.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,881 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,883 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PArel.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,886 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,888 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,890 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,894 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,898 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISOL24.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,904 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,909 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,911 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,913 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CARBHB12.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,915 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,917 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ACONF.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,920 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_C60ISO.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,922 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DARC.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,925 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,927 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,930 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,933 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SCONF.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,936 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,941 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,943 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,945 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,947 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RC21.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,949 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,951 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CHB6.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,954 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IDISP.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,956 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_NBPRC.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,958 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DC13.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,960 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,962 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BSR36.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,965 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,967 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_UPU23.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,970 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ADIM6.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,973 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SLIM05.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,976 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S22.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,978 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVYSB11.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,981 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PCONF21.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,984 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,986 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,988 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,991 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CDIE20.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,994 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:54,997 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,000 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,003 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,006 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,009 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MCONF.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,012 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,015 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,018 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,071 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:08:55,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CHB6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVYSB11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:08:55,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:11,474 installing to build/bdist.linux-armv7l/wheel 2025-08-31T10:09:11,475 running install 2025-08-31T10:09:11,498 running install_lib 2025-08-31T10:09:11,515 creating build/bdist.linux-armv7l/wheel 2025-08-31T10:09:11,527 creating build/bdist.linux-armv7l/wheel/xcbm 2025-08-31T10:09:11,535 creating build/bdist.linux-armv7l/wheel/xcbm/Input_Scripts 2025-08-31T10:09:11,537 copying build/lib/xcbm/Input_Scripts/calc_MGCDB84.py -> build/bdist.linux-armv7l/wheel/./xcbm/Input_Scripts 2025-08-31T10:09:11,539 copying build/lib/xcbm/Input_Scripts/calc_GMTKN55.py -> build/bdist.linux-armv7l/wheel/./xcbm/Input_Scripts 2025-08-31T10:09:11,541 copying build/lib/xcbm/MGCDB84.py -> build/bdist.linux-armv7l/wheel/./xcbm 2025-08-31T10:09:11,544 copying build/lib/xcbm/GMTKN55.py -> build/bdist.linux-armv7l/wheel/./xcbm 2025-08-31T10:09:11,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset 2025-08-31T10:09:11,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,552 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,554 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_C60ISO.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,557 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,564 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISOL24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,575 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,582 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,585 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,588 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,591 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PCONF21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,596 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,605 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,616 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,629 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,632 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,634 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,636 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RC21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,639 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SCONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,641 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,642 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,644 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,646 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,648 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IDISP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,650 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,653 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_NBPRC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,655 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,657 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,659 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,661 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,662 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DARC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,664 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,666 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,668 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,670 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,672 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S22.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,674 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,676 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,678 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,681 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,683 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,685 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,687 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_UPU23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,689 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,690 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MCONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,692 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,694 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,697 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,699 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PArel.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,701 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,703 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,705 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,707 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,709 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SLIM05.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,711 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,713 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DC13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,714 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,717 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2025-08-31T10:09:11,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16 2025-08-31T10:09:11,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,723 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,725 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,727 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,728 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,730 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,732 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,734 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,736 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,738 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,740 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,741 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,743 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RC21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,746 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,749 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,751 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,754 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,758 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,760 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,762 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,764 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,767 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,769 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,772 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,775 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,777 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,779 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,781 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,783 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,785 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,787 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,790 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,792 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,795 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,797 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,799 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DC13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,801 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,803 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2025-08-31T10:09:11,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES 2025-08-31T10:09:11,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6 2025-08-31T10:09:11,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3 2025-08-31T10:09:11,813 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3 2025-08-31T10:09:11,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6 2025-08-31T10:09:11,817 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6 2025-08-31T10:09:11,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2 2025-08-31T10:09:11,821 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2 2025-08-31T10:09:11,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6 2025-08-31T10:09:11,825 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6 2025-08-31T10:09:11,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6 2025-08-31T10:09:11,829 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6 2025-08-31T10:09:11,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3 2025-08-31T10:09:11,833 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3 2025-08-31T10:09:11,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6 2025-08-31T10:09:11,836 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6 2025-08-31T10:09:11,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4 2025-08-31T10:09:11,840 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4 2025-08-31T10:09:11,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5 2025-08-31T10:09:11,844 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5 2025-08-31T10:09:11,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3 2025-08-31T10:09:11,848 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3 2025-08-31T10:09:11,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3 2025-08-31T10:09:11,851 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3 2025-08-31T10:09:11,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP 2025-08-31T10:09:11,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137 2025-08-31T10:09:11,859 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137 2025-08-31T10:09:11,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+ 2025-08-31T10:09:11,864 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+ 2025-08-31T10:09:11,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+ 2025-08-31T10:09:11,868 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+ 2025-08-31T10:09:11,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74 2025-08-31T10:09:11,872 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74 2025-08-31T10:09:11,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71 2025-08-31T10:09:11,877 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71 2025-08-31T10:09:11,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79 2025-08-31T10:09:11,882 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79 2025-08-31T10:09:11,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80 2025-08-31T10:09:11,888 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80 2025-08-31T10:09:11,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p 2025-08-31T10:09:11,893 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p 2025-08-31T10:09:11,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8 2025-08-31T10:09:11,898 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8 2025-08-31T10:09:11,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76 2025-08-31T10:09:11,904 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76 2025-08-31T10:09:11,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30 2025-08-31T10:09:11,908 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30 2025-08-31T10:09:11,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al 2025-08-31T10:09:11,913 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al 2025-08-31T10:09:11,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+ 2025-08-31T10:09:11,917 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+ 2025-08-31T10:09:11,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c 2025-08-31T10:09:11,922 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c 2025-08-31T10:09:11,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be 2025-08-31T10:09:11,927 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be 2025-08-31T10:09:11,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+ 2025-08-31T10:09:11,932 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+ 2025-08-31T10:09:11,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n 2025-08-31T10:09:11,937 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n 2025-08-31T10:09:11,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+ 2025-08-31T10:09:11,942 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+ 2025-08-31T10:09:11,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64 2025-08-31T10:09:11,947 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64 2025-08-31T10:09:11,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34 2025-08-31T10:09:11,951 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34 2025-08-31T10:09:11,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s 2025-08-31T10:09:11,958 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s 2025-08-31T10:09:11,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+ 2025-08-31T10:09:11,964 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+ 2025-08-31T10:09:11,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75 2025-08-31T10:09:11,968 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75 2025-08-31T10:09:11,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59 2025-08-31T10:09:11,973 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59 2025-08-31T10:09:11,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73 2025-08-31T10:09:11,979 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73 2025-08-31T10:09:11,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22 2025-08-31T10:09:11,983 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22 2025-08-31T10:09:11,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18 2025-08-31T10:09:11,986 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18 2025-08-31T10:09:11,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37 2025-08-31T10:09:11,990 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37 2025-08-31T10:09:11,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+ 2025-08-31T10:09:11,994 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+ 2025-08-31T10:09:11,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72 2025-08-31T10:09:11,998 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72 2025-08-31T10:09:12,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67 2025-08-31T10:09:12,002 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67 2025-08-31T10:09:12,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68 2025-08-31T10:09:12,005 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68 2025-08-31T10:09:12,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+ 2025-08-31T10:09:12,009 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+ 2025-08-31T10:09:12,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o 2025-08-31T10:09:12,014 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o 2025-08-31T10:09:12,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13 2025-08-31T10:09:12,019 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13 2025-08-31T10:09:12,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25 2025-08-31T10:09:12,025 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25 2025-08-31T10:09:12,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77 2025-08-31T10:09:12,030 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77 2025-08-31T10:09:12,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14 2025-08-31T10:09:12,034 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14 2025-08-31T10:09:12,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg 2025-08-31T10:09:12,039 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg 2025-08-31T10:09:12,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19 2025-08-31T10:09:12,042 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19 2025-08-31T10:09:12,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+ 2025-08-31T10:09:12,048 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+ 2025-08-31T10:09:12,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60 2025-08-31T10:09:12,052 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60 2025-08-31T10:09:12,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+ 2025-08-31T10:09:12,056 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+ 2025-08-31T10:09:12,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45 2025-08-31T10:09:12,060 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45 2025-08-31T10:09:12,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26 2025-08-31T10:09:12,064 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26 2025-08-31T10:09:12,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl 2025-08-31T10:09:12,068 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl 2025-08-31T10:09:12,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78 2025-08-31T10:09:12,073 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78 2025-08-31T10:09:12,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b 2025-08-31T10:09:12,078 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b 2025-08-31T10:09:12,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li 2025-08-31T10:09:12,081 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li 2025-08-31T10:09:12,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20 2025-08-31T10:09:12,085 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20 2025-08-31T10:09:12,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66 2025-08-31T10:09:12,089 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66 2025-08-31T10:09:12,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43 2025-08-31T10:09:12,093 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43 2025-08-31T10:09:12,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44 2025-08-31T10:09:12,097 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44 2025-08-31T10:09:12,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62 2025-08-31T10:09:12,101 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62 2025-08-31T10:09:12,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h 2025-08-31T10:09:12,104 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h 2025-08-31T10:09:12,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+ 2025-08-31T10:09:12,108 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+ 2025-08-31T10:09:12,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na 2025-08-31T10:09:12,112 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na 2025-08-31T10:09:12,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65 2025-08-31T10:09:12,115 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65 2025-08-31T10:09:12,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+ 2025-08-31T10:09:12,119 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+ 2025-08-31T10:09:12,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61 2025-08-31T10:09:12,123 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61 2025-08-31T10:09:12,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si 2025-08-31T10:09:12,127 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si 2025-08-31T10:09:12,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12 2025-08-31T10:09:12,131 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12 2025-08-31T10:09:12,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63 2025-08-31T10:09:12,136 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63 2025-08-31T10:09:12,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70 2025-08-31T10:09:12,139 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70 2025-08-31T10:09:12,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51 2025-08-31T10:09:12,143 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51 2025-08-31T10:09:12,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f 2025-08-31T10:09:12,147 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f 2025-08-31T10:09:12,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+ 2025-08-31T10:09:12,151 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+ 2025-08-31T10:09:12,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48 2025-08-31T10:09:12,156 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48 2025-08-31T10:09:12,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65 2025-08-31T10:09:12,159 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65 2025-08-31T10:09:12,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11 2025-08-31T10:09:12,163 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11 2025-08-31T10:09:12,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+ 2025-08-31T10:09:12,167 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+ 2025-08-31T10:09:12,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27 2025-08-31T10:09:12,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans 2025-08-31T10:09:12,174 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans 2025-08-31T10:09:12,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180 2025-08-31T10:09:12,177 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180 2025-08-31T10:09:12,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans 2025-08-31T10:09:12,181 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans 2025-08-31T10:09:12,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120 2025-08-31T10:09:12,185 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120 2025-08-31T10:09:12,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis 2025-08-31T10:09:12,190 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis 2025-08-31T10:09:12,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2 2025-08-31T10:09:12,194 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2 2025-08-31T10:09:12,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2 2025-08-31T10:09:12,198 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2 2025-08-31T10:09:12,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn 2025-08-31T10:09:12,202 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn 2025-08-31T10:09:12,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis 2025-08-31T10:09:12,206 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis 2025-08-31T10:09:12,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis 2025-08-31T10:09:12,210 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis 2025-08-31T10:09:12,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2 2025-08-31T10:09:12,214 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2 2025-08-31T10:09:12,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1 2025-08-31T10:09:12,218 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1 2025-08-31T10:09:12,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS 2025-08-31T10:09:12,221 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS 2025-08-31T10:09:12,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti 2025-08-31T10:09:12,226 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti 2025-08-31T10:09:12,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl 2025-08-31T10:09:12,231 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl 2025-08-31T10:09:12,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2 2025-08-31T10:09:12,236 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2 2025-08-31T10:09:12,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180 2025-08-31T10:09:12,240 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180 2025-08-31T10:09:12,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st 2025-08-31T10:09:12,245 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st 2025-08-31T10:09:12,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0 2025-08-31T10:09:12,249 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0 2025-08-31T10:09:12,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1 2025-08-31T10:09:12,253 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1 2025-08-31T10:09:12,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0 2025-08-31T10:09:12,257 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0 2025-08-31T10:09:12,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans 2025-08-31T10:09:12,260 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans 2025-08-31T10:09:12,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn 2025-08-31T10:09:12,264 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn 2025-08-31T10:09:12,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl 2025-08-31T10:09:12,268 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl 2025-08-31T10:09:12,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1 2025-08-31T10:09:12,272 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1 2025-08-31T10:09:12,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2 2025-08-31T10:09:12,275 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2 2025-08-31T10:09:12,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1 2025-08-31T10:09:12,280 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1 2025-08-31T10:09:12,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS 2025-08-31T10:09:12,284 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS 2025-08-31T10:09:12,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl 2025-08-31T10:09:12,288 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl 2025-08-31T10:09:12,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2 2025-08-31T10:09:12,292 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2 2025-08-31T10:09:12,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1 2025-08-31T10:09:12,296 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1 2025-08-31T10:09:12,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st 2025-08-31T10:09:12,301 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st 2025-08-31T10:09:12,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl 2025-08-31T10:09:12,305 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl 2025-08-31T10:09:12,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl 2025-08-31T10:09:12,309 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl 2025-08-31T10:09:12,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st 2025-08-31T10:09:12,312 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st 2025-08-31T10:09:12,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti 2025-08-31T10:09:12,318 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti 2025-08-31T10:09:12,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS 2025-08-31T10:09:12,323 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS 2025-08-31T10:09:12,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC 2025-08-31T10:09:12,328 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC 2025-08-31T10:09:12,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS 2025-08-31T10:09:12,333 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS 2025-08-31T10:09:12,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60 2025-08-31T10:09:12,338 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60 2025-08-31T10:09:12,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23 2025-08-31T10:09:12,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a 2025-08-31T10:09:12,346 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a 2025-08-31T10:09:12,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a 2025-08-31T10:09:12,351 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a 2025-08-31T10:09:12,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23 2025-08-31T10:09:12,357 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23 2025-08-31T10:09:12,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4 2025-08-31T10:09:12,361 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4 2025-08-31T10:09:12,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a 2025-08-31T10:09:12,365 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a 2025-08-31T10:09:12,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a 2025-08-31T10:09:12,370 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a 2025-08-31T10:09:12,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b 2025-08-31T10:09:12,375 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b 2025-08-31T10:09:12,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8 2025-08-31T10:09:12,380 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8 2025-08-31T10:09:12,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b 2025-08-31T10:09:12,384 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b 2025-08-31T10:09:12,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b 2025-08-31T10:09:12,389 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b 2025-08-31T10:09:12,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b 2025-08-31T10:09:12,393 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b 2025-08-31T10:09:12,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3 2025-08-31T10:09:12,398 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3 2025-08-31T10:09:12,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a 2025-08-31T10:09:12,403 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a 2025-08-31T10:09:12,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a 2025-08-31T10:09:12,407 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a 2025-08-31T10:09:12,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b 2025-08-31T10:09:12,412 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b 2025-08-31T10:09:12,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a 2025-08-31T10:09:12,416 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a 2025-08-31T10:09:12,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b 2025-08-31T10:09:12,420 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b 2025-08-31T10:09:12,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10 2025-08-31T10:09:12,424 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10 2025-08-31T10:09:12,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b 2025-08-31T10:09:12,427 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b 2025-08-31T10:09:12,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b 2025-08-31T10:09:12,431 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b 2025-08-31T10:09:12,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a 2025-08-31T10:09:12,435 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a 2025-08-31T10:09:12,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a 2025-08-31T10:09:12,439 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a 2025-08-31T10:09:12,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a 2025-08-31T10:09:12,443 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a 2025-08-31T10:09:12,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a 2025-08-31T10:09:12,447 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a 2025-08-31T10:09:12,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22 2025-08-31T10:09:12,450 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22 2025-08-31T10:09:12,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18 2025-08-31T10:09:12,454 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18 2025-08-31T10:09:12,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16 2025-08-31T10:09:12,459 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16 2025-08-31T10:09:12,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7 2025-08-31T10:09:12,463 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7 2025-08-31T10:09:12,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a 2025-08-31T10:09:12,466 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a 2025-08-31T10:09:12,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21 2025-08-31T10:09:12,469 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21 2025-08-31T10:09:12,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b 2025-08-31T10:09:12,473 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b 2025-08-31T10:09:12,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13 2025-08-31T10:09:12,477 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13 2025-08-31T10:09:12,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a 2025-08-31T10:09:12,481 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a 2025-08-31T10:09:12,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6 2025-08-31T10:09:12,485 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6 2025-08-31T10:09:12,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a 2025-08-31T10:09:12,488 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a 2025-08-31T10:09:12,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a 2025-08-31T10:09:12,492 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a 2025-08-31T10:09:12,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14 2025-08-31T10:09:12,496 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14 2025-08-31T10:09:12,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a 2025-08-31T10:09:12,500 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a 2025-08-31T10:09:12,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a 2025-08-31T10:09:12,504 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a 2025-08-31T10:09:12,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1 2025-08-31T10:09:12,508 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1 2025-08-31T10:09:12,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15 2025-08-31T10:09:12,511 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15 2025-08-31T10:09:12,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19 2025-08-31T10:09:12,514 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19 2025-08-31T10:09:12,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b 2025-08-31T10:09:12,519 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b 2025-08-31T10:09:12,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b 2025-08-31T10:09:12,522 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b 2025-08-31T10:09:12,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b 2025-08-31T10:09:12,526 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b 2025-08-31T10:09:12,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2 2025-08-31T10:09:12,530 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2 2025-08-31T10:09:12,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20 2025-08-31T10:09:12,534 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20 2025-08-31T10:09:12,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b 2025-08-31T10:09:12,537 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b 2025-08-31T10:09:12,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5 2025-08-31T10:09:12,541 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5 2025-08-31T10:09:12,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b 2025-08-31T10:09:12,546 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b 2025-08-31T10:09:12,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b 2025-08-31T10:09:12,550 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b 2025-08-31T10:09:12,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b 2025-08-31T10:09:12,554 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b 2025-08-31T10:09:12,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b 2025-08-31T10:09:12,557 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b 2025-08-31T10:09:12,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b 2025-08-31T10:09:12,561 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b 2025-08-31T10:09:12,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12 2025-08-31T10:09:12,565 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12 2025-08-31T10:09:12,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b 2025-08-31T10:09:12,569 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b 2025-08-31T10:09:12,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17 2025-08-31T10:09:12,573 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17 2025-08-31T10:09:12,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9 2025-08-31T10:09:12,576 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9 2025-08-31T10:09:12,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a 2025-08-31T10:09:12,579 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a 2025-08-31T10:09:12,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b 2025-08-31T10:09:12,583 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b 2025-08-31T10:09:12,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a 2025-08-31T10:09:12,587 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a 2025-08-31T10:09:12,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b 2025-08-31T10:09:12,591 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b 2025-08-31T10:09:12,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b 2025-08-31T10:09:12,595 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b 2025-08-31T10:09:12,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a 2025-08-31T10:09:12,599 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a 2025-08-31T10:09:12,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a 2025-08-31T10:09:12,603 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a 2025-08-31T10:09:12,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b 2025-08-31T10:09:12,609 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b 2025-08-31T10:09:12,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a 2025-08-31T10:09:12,613 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a 2025-08-31T10:09:12,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a 2025-08-31T10:09:12,617 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a 2025-08-31T10:09:12,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11 2025-08-31T10:09:12,620 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11 2025-08-31T10:09:12,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10 2025-08-31T10:09:12,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1 2025-08-31T10:09:12,626 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1 2025-08-31T10:09:12,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3 2025-08-31T10:09:12,629 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3 2025-08-31T10:09:12,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4 2025-08-31T10:09:12,633 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4 2025-08-31T10:09:12,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1 2025-08-31T10:09:12,637 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1 2025-08-31T10:09:12,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3 2025-08-31T10:09:12,641 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3 2025-08-31T10:09:12,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10 2025-08-31T10:09:12,644 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10 2025-08-31T10:09:12,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10 2025-08-31T10:09:12,649 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10 2025-08-31T10:09:12,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9 2025-08-31T10:09:12,653 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9 2025-08-31T10:09:12,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9 2025-08-31T10:09:12,656 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9 2025-08-31T10:09:12,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8 2025-08-31T10:09:12,660 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8 2025-08-31T10:09:12,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5 2025-08-31T10:09:12,663 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5 2025-08-31T10:09:12,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5 2025-08-31T10:09:12,666 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5 2025-08-31T10:09:12,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2 2025-08-31T10:09:12,670 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2 2025-08-31T10:09:12,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7 2025-08-31T10:09:12,674 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7 2025-08-31T10:09:12,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4 2025-08-31T10:09:12,677 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4 2025-08-31T10:09:12,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6 2025-08-31T10:09:12,681 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6 2025-08-31T10:09:12,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6 2025-08-31T10:09:12,684 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6 2025-08-31T10:09:12,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8 2025-08-31T10:09:12,688 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8 2025-08-31T10:09:12,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2 2025-08-31T10:09:12,691 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2 2025-08-31T10:09:12,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7 2025-08-31T10:09:12,695 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7 2025-08-31T10:09:12,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22 2025-08-31T10:09:12,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02 2025-08-31T10:09:12,701 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02 2025-08-31T10:09:12,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a 2025-08-31T10:09:12,704 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a 2025-08-31T10:09:12,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a 2025-08-31T10:09:12,707 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a 2025-08-31T10:09:12,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08 2025-08-31T10:09:12,711 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08 2025-08-31T10:09:12,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a 2025-08-31T10:09:12,714 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a 2025-08-31T10:09:12,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b 2025-08-31T10:09:12,718 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b 2025-08-31T10:09:12,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b 2025-08-31T10:09:12,721 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b 2025-08-31T10:09:12,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a 2025-08-31T10:09:12,725 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a 2025-08-31T10:09:12,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b 2025-08-31T10:09:12,728 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b 2025-08-31T10:09:12,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a 2025-08-31T10:09:12,731 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a 2025-08-31T10:09:12,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06 2025-08-31T10:09:12,735 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06 2025-08-31T10:09:12,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a 2025-08-31T10:09:12,738 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a 2025-08-31T10:09:12,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10 2025-08-31T10:09:12,742 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10 2025-08-31T10:09:12,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a 2025-08-31T10:09:12,745 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a 2025-08-31T10:09:12,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a 2025-08-31T10:09:12,748 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a 2025-08-31T10:09:12,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b 2025-08-31T10:09:12,752 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b 2025-08-31T10:09:12,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a 2025-08-31T10:09:12,755 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a 2025-08-31T10:09:12,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22 2025-08-31T10:09:12,758 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22 2025-08-31T10:09:12,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18 2025-08-31T10:09:12,762 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18 2025-08-31T10:09:12,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16 2025-08-31T10:09:12,765 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16 2025-08-31T10:09:12,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04 2025-08-31T10:09:12,768 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04 2025-08-31T10:09:12,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a 2025-08-31T10:09:12,772 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a 2025-08-31T10:09:12,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a 2025-08-31T10:09:12,775 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a 2025-08-31T10:09:12,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09 2025-08-31T10:09:12,779 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09 2025-08-31T10:09:12,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a 2025-08-31T10:09:12,782 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a 2025-08-31T10:09:12,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b 2025-08-31T10:09:12,785 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b 2025-08-31T10:09:12,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21 2025-08-31T10:09:12,789 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21 2025-08-31T10:09:12,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13 2025-08-31T10:09:12,792 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13 2025-08-31T10:09:12,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a 2025-08-31T10:09:12,796 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a 2025-08-31T10:09:12,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14 2025-08-31T10:09:12,799 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14 2025-08-31T10:09:12,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a 2025-08-31T10:09:12,802 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a 2025-08-31T10:09:12,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a 2025-08-31T10:09:12,806 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a 2025-08-31T10:09:12,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15 2025-08-31T10:09:12,809 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15 2025-08-31T10:09:12,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a 2025-08-31T10:09:12,812 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a 2025-08-31T10:09:12,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19 2025-08-31T10:09:12,816 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19 2025-08-31T10:09:12,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01 2025-08-31T10:09:12,819 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01 2025-08-31T10:09:12,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b 2025-08-31T10:09:12,823 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b 2025-08-31T10:09:12,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03 2025-08-31T10:09:12,827 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03 2025-08-31T10:09:12,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20 2025-08-31T10:09:12,830 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20 2025-08-31T10:09:12,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b 2025-08-31T10:09:12,834 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b 2025-08-31T10:09:12,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b 2025-08-31T10:09:12,837 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b 2025-08-31T10:09:12,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b 2025-08-31T10:09:12,840 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b 2025-08-31T10:09:12,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b 2025-08-31T10:09:12,844 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b 2025-08-31T10:09:12,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12 2025-08-31T10:09:12,847 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12 2025-08-31T10:09:12,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b 2025-08-31T10:09:12,851 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b 2025-08-31T10:09:12,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17 2025-08-31T10:09:12,854 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17 2025-08-31T10:09:12,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a 2025-08-31T10:09:12,858 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a 2025-08-31T10:09:12,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a 2025-08-31T10:09:12,861 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a 2025-08-31T10:09:12,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05 2025-08-31T10:09:12,865 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05 2025-08-31T10:09:12,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b 2025-08-31T10:09:12,868 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b 2025-08-31T10:09:12,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a 2025-08-31T10:09:12,872 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a 2025-08-31T10:09:12,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b 2025-08-31T10:09:12,876 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b 2025-08-31T10:09:12,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a 2025-08-31T10:09:12,879 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a 2025-08-31T10:09:12,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07 2025-08-31T10:09:12,883 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07 2025-08-31T10:09:12,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a 2025-08-31T10:09:12,886 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a 2025-08-31T10:09:12,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a 2025-08-31T10:09:12,890 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a 2025-08-31T10:09:12,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11 2025-08-31T10:09:12,893 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11 2025-08-31T10:09:12,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4 2025-08-31T10:09:12,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab 2025-08-31T10:09:12,900 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab 2025-08-31T10:09:12,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag 2025-08-31T10:09:12,903 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag 2025-08-31T10:09:12,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah 2025-08-31T10:09:12,907 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah 2025-08-31T10:09:12,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad 2025-08-31T10:09:12,911 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad 2025-08-31T10:09:12,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag 2025-08-31T10:09:12,914 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag 2025-08-31T10:09:12,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab 2025-08-31T10:09:12,918 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab 2025-08-31T10:09:12,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf 2025-08-31T10:09:12,922 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf 2025-08-31T10:09:12,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae 2025-08-31T10:09:12,925 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae 2025-08-31T10:09:12,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf 2025-08-31T10:09:12,929 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf 2025-08-31T10:09:12,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay 2025-08-31T10:09:12,932 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay 2025-08-31T10:09:12,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag 2025-08-31T10:09:12,936 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag 2025-08-31T10:09:12,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi 2025-08-31T10:09:12,939 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi 2025-08-31T10:09:12,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav 2025-08-31T10:09:12,943 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav 2025-08-31T10:09:12,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj 2025-08-31T10:09:12,946 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj 2025-08-31T10:09:12,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah 2025-08-31T10:09:12,950 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah 2025-08-31T10:09:12,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan 2025-08-31T10:09:12,954 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan 2025-08-31T10:09:12,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao 2025-08-31T10:09:12,957 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao 2025-08-31T10:09:12,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap 2025-08-31T10:09:12,961 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap 2025-08-31T10:09:12,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf 2025-08-31T10:09:12,964 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf 2025-08-31T10:09:12,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah 2025-08-31T10:09:12,967 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah 2025-08-31T10:09:12,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau 2025-08-31T10:09:12,971 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau 2025-08-31T10:09:12,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab 2025-08-31T10:09:12,974 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab 2025-08-31T10:09:12,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf 2025-08-31T10:09:12,978 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf 2025-08-31T10:09:12,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag 2025-08-31T10:09:12,981 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag 2025-08-31T10:09:12,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan 2025-08-31T10:09:12,985 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan 2025-08-31T10:09:12,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad 2025-08-31T10:09:12,989 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad 2025-08-31T10:09:12,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx 2025-08-31T10:09:12,992 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx 2025-08-31T10:09:12,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq 2025-08-31T10:09:12,996 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq 2025-08-31T10:09:12,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad 2025-08-31T10:09:13,000 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad 2025-08-31T10:09:13,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo 2025-08-31T10:09:13,004 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo 2025-08-31T10:09:13,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac 2025-08-31T10:09:13,007 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac 2025-08-31T10:09:13,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah 2025-08-31T10:09:13,011 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah 2025-08-31T10:09:13,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan 2025-08-31T10:09:13,014 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan 2025-08-31T10:09:13,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar 2025-08-31T10:09:13,018 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar 2025-08-31T10:09:13,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac 2025-08-31T10:09:13,022 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac 2025-08-31T10:09:13,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae 2025-08-31T10:09:13,025 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae 2025-08-31T10:09:13,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal 2025-08-31T10:09:13,029 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal 2025-08-31T10:09:13,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak 2025-08-31T10:09:13,032 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak 2025-08-31T10:09:13,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav 2025-08-31T10:09:13,036 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav 2025-08-31T10:09:13,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar 2025-08-31T10:09:13,040 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar 2025-08-31T10:09:13,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab 2025-08-31T10:09:13,044 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab 2025-08-31T10:09:13,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat 2025-08-31T10:09:13,047 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat 2025-08-31T10:09:13,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab 2025-08-31T10:09:13,051 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab 2025-08-31T10:09:13,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae 2025-08-31T10:09:13,054 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae 2025-08-31T10:09:13,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz 2025-08-31T10:09:13,058 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz 2025-08-31T10:09:13,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak 2025-08-31T10:09:13,061 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak 2025-08-31T10:09:13,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc 2025-08-31T10:09:13,065 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc 2025-08-31T10:09:13,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf 2025-08-31T10:09:13,069 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf 2025-08-31T10:09:13,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah 2025-08-31T10:09:13,072 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah 2025-08-31T10:09:13,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj 2025-08-31T10:09:13,076 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj 2025-08-31T10:09:13,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao 2025-08-31T10:09:13,080 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao 2025-08-31T10:09:13,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad 2025-08-31T10:09:13,083 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad 2025-08-31T10:09:13,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae 2025-08-31T10:09:13,087 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae 2025-08-31T10:09:13,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal 2025-08-31T10:09:13,090 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal 2025-08-31T10:09:13,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb 2025-08-31T10:09:13,094 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb 2025-08-31T10:09:13,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah 2025-08-31T10:09:13,097 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah 2025-08-31T10:09:13,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar 2025-08-31T10:09:13,101 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar 2025-08-31T10:09:13,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap 2025-08-31T10:09:13,105 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap 2025-08-31T10:09:13,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab 2025-08-31T10:09:13,108 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab 2025-08-31T10:09:13,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae 2025-08-31T10:09:13,112 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae 2025-08-31T10:09:13,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah 2025-08-31T10:09:13,116 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah 2025-08-31T10:09:13,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab 2025-08-31T10:09:13,119 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab 2025-08-31T10:09:13,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau 2025-08-31T10:09:13,123 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau 2025-08-31T10:09:13,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci 2025-08-31T10:09:13,127 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci 2025-08-31T10:09:13,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag 2025-08-31T10:09:13,130 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag 2025-08-31T10:09:13,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag 2025-08-31T10:09:13,134 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag 2025-08-31T10:09:13,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag 2025-08-31T10:09:13,137 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag 2025-08-31T10:09:13,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam 2025-08-31T10:09:13,141 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam 2025-08-31T10:09:13,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv 2025-08-31T10:09:13,144 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv 2025-08-31T10:09:13,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak 2025-08-31T10:09:13,148 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak 2025-08-31T10:09:13,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai 2025-08-31T10:09:13,151 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai 2025-08-31T10:09:13,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas 2025-08-31T10:09:13,155 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas 2025-08-31T10:09:13,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal 2025-08-31T10:09:13,158 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal 2025-08-31T10:09:13,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq 2025-08-31T10:09:13,162 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq 2025-08-31T10:09:13,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav 2025-08-31T10:09:13,166 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav 2025-08-31T10:09:13,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac 2025-08-31T10:09:13,169 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac 2025-08-31T10:09:13,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar 2025-08-31T10:09:13,173 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar 2025-08-31T10:09:13,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao 2025-08-31T10:09:13,176 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao 2025-08-31T10:09:13,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag 2025-08-31T10:09:13,179 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag 2025-08-31T10:09:13,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac 2025-08-31T10:09:13,183 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac 2025-08-31T10:09:13,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat 2025-08-31T10:09:13,186 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat 2025-08-31T10:09:13,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai 2025-08-31T10:09:13,190 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai 2025-08-31T10:09:13,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq 2025-08-31T10:09:13,194 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq 2025-08-31T10:09:13,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal 2025-08-31T10:09:13,198 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal 2025-08-31T10:09:13,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad 2025-08-31T10:09:13,201 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad 2025-08-31T10:09:13,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq 2025-08-31T10:09:13,205 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq 2025-08-31T10:09:13,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah 2025-08-31T10:09:13,209 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah 2025-08-31T10:09:13,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby 2025-08-31T10:09:13,213 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby 2025-08-31T10:09:13,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw 2025-08-31T10:09:13,216 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw 2025-08-31T10:09:13,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm 2025-08-31T10:09:13,219 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm 2025-08-31T10:09:13,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj 2025-08-31T10:09:13,223 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj 2025-08-31T10:09:13,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak 2025-08-31T10:09:13,226 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak 2025-08-31T10:09:13,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf 2025-08-31T10:09:13,230 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf 2025-08-31T10:09:13,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap 2025-08-31T10:09:13,234 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap 2025-08-31T10:09:13,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal 2025-08-31T10:09:13,237 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal 2025-08-31T10:09:13,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai 2025-08-31T10:09:13,241 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai 2025-08-31T10:09:13,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad 2025-08-31T10:09:13,244 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad 2025-08-31T10:09:13,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan 2025-08-31T10:09:13,248 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan 2025-08-31T10:09:13,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak 2025-08-31T10:09:13,252 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak 2025-08-31T10:09:13,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad 2025-08-31T10:09:13,255 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad 2025-08-31T10:09:13,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34 2025-08-31T10:09:13,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5 2025-08-31T10:09:13,261 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5 2025-08-31T10:09:13,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29 2025-08-31T10:09:13,264 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29 2025-08-31T10:09:13,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1 2025-08-31T10:09:13,268 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1 2025-08-31T10:09:13,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13 2025-08-31T10:09:13,271 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13 2025-08-31T10:09:13,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17 2025-08-31T10:09:13,275 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17 2025-08-31T10:09:13,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18 2025-08-31T10:09:13,278 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18 2025-08-31T10:09:13,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17 2025-08-31T10:09:13,282 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17 2025-08-31T10:09:13,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15 2025-08-31T10:09:13,285 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15 2025-08-31T10:09:13,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32 2025-08-31T10:09:13,289 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32 2025-08-31T10:09:13,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12 2025-08-31T10:09:13,292 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12 2025-08-31T10:09:13,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28 2025-08-31T10:09:13,296 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28 2025-08-31T10:09:13,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33 2025-08-31T10:09:13,299 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33 2025-08-31T10:09:13,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18 2025-08-31T10:09:13,302 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18 2025-08-31T10:09:13,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7 2025-08-31T10:09:13,306 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7 2025-08-31T10:09:13,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20 2025-08-31T10:09:13,309 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20 2025-08-31T10:09:13,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14 2025-08-31T10:09:13,312 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14 2025-08-31T10:09:13,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25 2025-08-31T10:09:13,316 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25 2025-08-31T10:09:13,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23 2025-08-31T10:09:13,319 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23 2025-08-31T10:09:13,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8 2025-08-31T10:09:13,323 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8 2025-08-31T10:09:13,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3 2025-08-31T10:09:13,327 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3 2025-08-31T10:09:13,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4 2025-08-31T10:09:13,330 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4 2025-08-31T10:09:13,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7 2025-08-31T10:09:13,334 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7 2025-08-31T10:09:13,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19 2025-08-31T10:09:13,338 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19 2025-08-31T10:09:13,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27 2025-08-31T10:09:13,342 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27 2025-08-31T10:09:13,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30 2025-08-31T10:09:13,346 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30 2025-08-31T10:09:13,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33 2025-08-31T10:09:13,349 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33 2025-08-31T10:09:13,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9 2025-08-31T10:09:13,353 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9 2025-08-31T10:09:13,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27 2025-08-31T10:09:13,356 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27 2025-08-31T10:09:13,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25 2025-08-31T10:09:13,360 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25 2025-08-31T10:09:13,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16 2025-08-31T10:09:13,363 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16 2025-08-31T10:09:13,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21 2025-08-31T10:09:13,366 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21 2025-08-31T10:09:13,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12 2025-08-31T10:09:13,370 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12 2025-08-31T10:09:13,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6 2025-08-31T10:09:13,374 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6 2025-08-31T10:09:13,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31 2025-08-31T10:09:13,377 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31 2025-08-31T10:09:13,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4 2025-08-31T10:09:13,381 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4 2025-08-31T10:09:13,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16 2025-08-31T10:09:13,385 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16 2025-08-31T10:09:13,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20 2025-08-31T10:09:13,388 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20 2025-08-31T10:09:13,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13 2025-08-31T10:09:13,391 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13 2025-08-31T10:09:13,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30 2025-08-31T10:09:13,394 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30 2025-08-31T10:09:13,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24 2025-08-31T10:09:13,398 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24 2025-08-31T10:09:13,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34 2025-08-31T10:09:13,401 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34 2025-08-31T10:09:13,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24 2025-08-31T10:09:13,405 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24 2025-08-31T10:09:13,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34 2025-08-31T10:09:13,408 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34 2025-08-31T10:09:13,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31 2025-08-31T10:09:13,412 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31 2025-08-31T10:09:13,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22 2025-08-31T10:09:13,416 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22 2025-08-31T10:09:13,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8 2025-08-31T10:09:13,419 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8 2025-08-31T10:09:13,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23 2025-08-31T10:09:13,423 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23 2025-08-31T10:09:13,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1 2025-08-31T10:09:13,426 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1 2025-08-31T10:09:13,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26 2025-08-31T10:09:13,430 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26 2025-08-31T10:09:13,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10 2025-08-31T10:09:13,433 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10 2025-08-31T10:09:13,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21 2025-08-31T10:09:13,436 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21 2025-08-31T10:09:13,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9 2025-08-31T10:09:13,439 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9 2025-08-31T10:09:13,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14 2025-08-31T10:09:13,443 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14 2025-08-31T10:09:13,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11 2025-08-31T10:09:13,446 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11 2025-08-31T10:09:13,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32 2025-08-31T10:09:13,450 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32 2025-08-31T10:09:13,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15 2025-08-31T10:09:13,453 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15 2025-08-31T10:09:13,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28 2025-08-31T10:09:13,457 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28 2025-08-31T10:09:13,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26 2025-08-31T10:09:13,460 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26 2025-08-31T10:09:13,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29 2025-08-31T10:09:13,464 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29 2025-08-31T10:09:13,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3 2025-08-31T10:09:13,467 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3 2025-08-31T10:09:13,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2 2025-08-31T10:09:13,470 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2 2025-08-31T10:09:13,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10 2025-08-31T10:09:13,474 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10 2025-08-31T10:09:13,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11 2025-08-31T10:09:13,477 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11 2025-08-31T10:09:13,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10 2025-08-31T10:09:13,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2 2025-08-31T10:09:13,482 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2 2025-08-31T10:09:13,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+ 2025-08-31T10:09:13,486 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+ 2025-08-31T10:09:13,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+ 2025-08-31T10:09:13,489 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+ 2025-08-31T10:09:13,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+ 2025-08-31T10:09:13,492 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+ 2025-08-31T10:09:13,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3 2025-08-31T10:09:13,496 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3 2025-08-31T10:09:13,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be 2025-08-31T10:09:13,499 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be 2025-08-31T10:09:13,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4 2025-08-31T10:09:13,503 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4 2025-08-31T10:09:13,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+ 2025-08-31T10:09:13,506 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+ 2025-08-31T10:09:13,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+ 2025-08-31T10:09:13,510 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+ 2025-08-31T10:09:13,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+ 2025-08-31T10:09:13,514 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+ 2025-08-31T10:09:13,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+ 2025-08-31T10:09:13,517 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+ 2025-08-31T10:09:13,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3 2025-08-31T10:09:13,520 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3 2025-08-31T10:09:13,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+ 2025-08-31T10:09:13,524 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+ 2025-08-31T10:09:13,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg 2025-08-31T10:09:13,527 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg 2025-08-31T10:09:13,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s 2025-08-31T10:09:13,530 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s 2025-08-31T10:09:13,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o 2025-08-31T10:09:13,534 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o 2025-08-31T10:09:13,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+ 2025-08-31T10:09:13,538 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+ 2025-08-31T10:09:13,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6 2025-08-31T10:09:13,542 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6 2025-08-31T10:09:13,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+ 2025-08-31T10:09:13,546 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+ 2025-08-31T10:09:13,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4 2025-08-31T10:09:13,549 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4 2025-08-31T10:09:13,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL 2025-08-31T10:09:13,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62 2025-08-31T10:09:13,555 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62 2025-08-31T10:09:13,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24 2025-08-31T10:09:13,559 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24 2025-08-31T10:09:13,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13 2025-08-31T10:09:13,562 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13 2025-08-31T10:09:13,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42 2025-08-31T10:09:13,565 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42 2025-08-31T10:09:13,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63 2025-08-31T10:09:13,569 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63 2025-08-31T10:09:13,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11 2025-08-31T10:09:13,572 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11 2025-08-31T10:09:13,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10 2025-08-31T10:09:13,575 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10 2025-08-31T10:09:13,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27 2025-08-31T10:09:13,579 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27 2025-08-31T10:09:13,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15 2025-08-31T10:09:13,582 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15 2025-08-31T10:09:13,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21 2025-08-31T10:09:13,586 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21 2025-08-31T10:09:13,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56 2025-08-31T10:09:13,589 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56 2025-08-31T10:09:13,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45 2025-08-31T10:09:13,592 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45 2025-08-31T10:09:13,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3 2025-08-31T10:09:13,596 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3 2025-08-31T10:09:13,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64 2025-08-31T10:09:13,599 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64 2025-08-31T10:09:13,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49 2025-08-31T10:09:13,602 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49 2025-08-31T10:09:13,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44 2025-08-31T10:09:13,606 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44 2025-08-31T10:09:13,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32 2025-08-31T10:09:13,609 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32 2025-08-31T10:09:13,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20 2025-08-31T10:09:13,612 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20 2025-08-31T10:09:13,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35 2025-08-31T10:09:13,616 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35 2025-08-31T10:09:13,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40 2025-08-31T10:09:13,619 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40 2025-08-31T10:09:13,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25 2025-08-31T10:09:13,622 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25 2025-08-31T10:09:13,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14 2025-08-31T10:09:13,626 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14 2025-08-31T10:09:13,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29 2025-08-31T10:09:13,629 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29 2025-08-31T10:09:13,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4 2025-08-31T10:09:13,633 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4 2025-08-31T10:09:13,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22 2025-08-31T10:09:13,636 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22 2025-08-31T10:09:13,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16 2025-08-31T10:09:13,640 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16 2025-08-31T10:09:13,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34 2025-08-31T10:09:13,643 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34 2025-08-31T10:09:13,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28 2025-08-31T10:09:13,646 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28 2025-08-31T10:09:13,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2 2025-08-31T10:09:13,649 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2 2025-08-31T10:09:13,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9 2025-08-31T10:09:13,653 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9 2025-08-31T10:09:13,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18 2025-08-31T10:09:13,656 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18 2025-08-31T10:09:13,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19 2025-08-31T10:09:13,660 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19 2025-08-31T10:09:13,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50 2025-08-31T10:09:13,663 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50 2025-08-31T10:09:13,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57 2025-08-31T10:09:13,666 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57 2025-08-31T10:09:13,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41 2025-08-31T10:09:13,670 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41 2025-08-31T10:09:13,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1 2025-08-31T10:09:13,673 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1 2025-08-31T10:09:13,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31 2025-08-31T10:09:13,677 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31 2025-08-31T10:09:13,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38 2025-08-31T10:09:13,682 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38 2025-08-31T10:09:13,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8 2025-08-31T10:09:13,685 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8 2025-08-31T10:09:13,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65 2025-08-31T10:09:13,688 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65 2025-08-31T10:09:13,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12 2025-08-31T10:09:13,692 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12 2025-08-31T10:09:13,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51 2025-08-31T10:09:13,695 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51 2025-08-31T10:09:13,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55 2025-08-31T10:09:13,699 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55 2025-08-31T10:09:13,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17 2025-08-31T10:09:13,702 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17 2025-08-31T10:09:13,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33 2025-08-31T10:09:13,706 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33 2025-08-31T10:09:13,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59 2025-08-31T10:09:13,710 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59 2025-08-31T10:09:13,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37 2025-08-31T10:09:13,714 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37 2025-08-31T10:09:13,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47 2025-08-31T10:09:13,720 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47 2025-08-31T10:09:13,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48 2025-08-31T10:09:13,724 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48 2025-08-31T10:09:13,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53 2025-08-31T10:09:13,727 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53 2025-08-31T10:09:13,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61 2025-08-31T10:09:13,731 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61 2025-08-31T10:09:13,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6 2025-08-31T10:09:13,734 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6 2025-08-31T10:09:13,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39 2025-08-31T10:09:13,737 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39 2025-08-31T10:09:13,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54 2025-08-31T10:09:13,741 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54 2025-08-31T10:09:13,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5 2025-08-31T10:09:13,744 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5 2025-08-31T10:09:13,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60 2025-08-31T10:09:13,747 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60 2025-08-31T10:09:13,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7 2025-08-31T10:09:13,751 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7 2025-08-31T10:09:13,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43 2025-08-31T10:09:13,754 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43 2025-08-31T10:09:13,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26 2025-08-31T10:09:13,758 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26 2025-08-31T10:09:13,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23 2025-08-31T10:09:13,761 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23 2025-08-31T10:09:13,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36 2025-08-31T10:09:13,765 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36 2025-08-31T10:09:13,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58 2025-08-31T10:09:13,770 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58 2025-08-31T10:09:13,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52 2025-08-31T10:09:13,774 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52 2025-08-31T10:09:13,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46 2025-08-31T10:09:13,777 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46 2025-08-31T10:09:13,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30 2025-08-31T10:09:13,781 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30 2025-08-31T10:09:13,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20 2025-08-31T10:09:13,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51 2025-08-31T10:09:13,786 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51 2025-08-31T10:09:13,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49 2025-08-31T10:09:13,789 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49 2025-08-31T10:09:13,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45 2025-08-31T10:09:13,793 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45 2025-08-31T10:09:13,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48 2025-08-31T10:09:13,797 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48 2025-08-31T10:09:13,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46 2025-08-31T10:09:13,800 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46 2025-08-31T10:09:13,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40 2025-08-31T10:09:13,804 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40 2025-08-31T10:09:13,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60 2025-08-31T10:09:13,807 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60 2025-08-31T10:09:13,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40 2025-08-31T10:09:13,810 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40 2025-08-31T10:09:13,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56 2025-08-31T10:09:13,814 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56 2025-08-31T10:09:13,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22 2025-08-31T10:09:13,818 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22 2025-08-31T10:09:13,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49 2025-08-31T10:09:13,821 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49 2025-08-31T10:09:13,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26 2025-08-31T10:09:13,824 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26 2025-08-31T10:09:13,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51 2025-08-31T10:09:13,828 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51 2025-08-31T10:09:13,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44 2025-08-31T10:09:13,832 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44 2025-08-31T10:09:13,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47 2025-08-31T10:09:13,835 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47 2025-08-31T10:09:13,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20 2025-08-31T10:09:13,839 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20 2025-08-31T10:09:13,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25 2025-08-31T10:09:13,842 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25 2025-08-31T10:09:13,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28 2025-08-31T10:09:13,846 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28 2025-08-31T10:09:13,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48 2025-08-31T10:09:13,849 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48 2025-08-31T10:09:13,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56 2025-08-31T10:09:13,853 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56 2025-08-31T10:09:13,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43 2025-08-31T10:09:13,857 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43 2025-08-31T10:09:13,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45 2025-08-31T10:09:13,860 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45 2025-08-31T10:09:13,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46 2025-08-31T10:09:13,863 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46 2025-08-31T10:09:13,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22 2025-08-31T10:09:13,866 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22 2025-08-31T10:09:13,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52 2025-08-31T10:09:13,870 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52 2025-08-31T10:09:13,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44 2025-08-31T10:09:13,873 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44 2025-08-31T10:09:13,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20 2025-08-31T10:09:13,877 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20 2025-08-31T10:09:13,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21 2025-08-31T10:09:13,880 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21 2025-08-31T10:09:13,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26 2025-08-31T10:09:13,884 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26 2025-08-31T10:09:13,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25 2025-08-31T10:09:13,887 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25 2025-08-31T10:09:13,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52 2025-08-31T10:09:13,891 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52 2025-08-31T10:09:13,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47 2025-08-31T10:09:13,894 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47 2025-08-31T10:09:13,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57 2025-08-31T10:09:13,898 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57 2025-08-31T10:09:13,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43 2025-08-31T10:09:13,902 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43 2025-08-31T10:09:13,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29 2025-08-31T10:09:13,905 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29 2025-08-31T10:09:13,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60 2025-08-31T10:09:13,908 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60 2025-08-31T10:09:13,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21 2025-08-31T10:09:13,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e 2025-08-31T10:09:13,914 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e 2025-08-31T10:09:13,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3 2025-08-31T10:09:13,917 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3 2025-08-31T10:09:13,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2 2025-08-31T10:09:13,920 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2 2025-08-31T10:09:13,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1 2025-08-31T10:09:13,924 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1 2025-08-31T10:09:13,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1 2025-08-31T10:09:13,927 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1 2025-08-31T10:09:13,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e 2025-08-31T10:09:13,931 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e 2025-08-31T10:09:13,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p 2025-08-31T10:09:13,934 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p 2025-08-31T10:09:13,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr 2025-08-31T10:09:13,938 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr 2025-08-31T10:09:13,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e 2025-08-31T10:09:13,942 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e 2025-08-31T10:09:13,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e 2025-08-31T10:09:13,946 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e 2025-08-31T10:09:13,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1 2025-08-31T10:09:13,949 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1 2025-08-31T10:09:13,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2 2025-08-31T10:09:13,953 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2 2025-08-31T10:09:13,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2 2025-08-31T10:09:13,956 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2 2025-08-31T10:09:13,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1 2025-08-31T10:09:13,959 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1 2025-08-31T10:09:13,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4 2025-08-31T10:09:13,962 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4 2025-08-31T10:09:13,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1 2025-08-31T10:09:13,966 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1 2025-08-31T10:09:13,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6 2025-08-31T10:09:13,969 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6 2025-08-31T10:09:13,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2 2025-08-31T10:09:13,973 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2 2025-08-31T10:09:13,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p 2025-08-31T10:09:13,976 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p 2025-08-31T10:09:13,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1 2025-08-31T10:09:13,980 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1 2025-08-31T10:09:13,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3 2025-08-31T10:09:13,983 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3 2025-08-31T10:09:13,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene 2025-08-31T10:09:13,987 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene 2025-08-31T10:09:13,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e 2025-08-31T10:09:13,991 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e 2025-08-31T10:09:13,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me 2025-08-31T10:09:13,994 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me 2025-08-31T10:09:13,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2 2025-08-31T10:09:13,997 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2 2025-08-31T10:09:14,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e 2025-08-31T10:09:14,001 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e 2025-08-31T10:09:14,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1 2025-08-31T10:09:14,004 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1 2025-08-31T10:09:14,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1 2025-08-31T10:09:14,008 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1 2025-08-31T10:09:14,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1 2025-08-31T10:09:14,011 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1 2025-08-31T10:09:14,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3 2025-08-31T10:09:14,015 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3 2025-08-31T10:09:14,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e 2025-08-31T10:09:14,018 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e 2025-08-31T10:09:14,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int 2025-08-31T10:09:14,022 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int 2025-08-31T10:09:14,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e 2025-08-31T10:09:14,025 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e 2025-08-31T10:09:14,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2 2025-08-31T10:09:14,029 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2 2025-08-31T10:09:14,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e 2025-08-31T10:09:14,033 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e 2025-08-31T10:09:14,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3 2025-08-31T10:09:14,036 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3 2025-08-31T10:09:14,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3 2025-08-31T10:09:14,040 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3 2025-08-31T10:09:14,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3 2025-08-31T10:09:14,044 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3 2025-08-31T10:09:14,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5 2025-08-31T10:09:14,049 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5 2025-08-31T10:09:14,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2 2025-08-31T10:09:14,055 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2 2025-08-31T10:09:14,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e 2025-08-31T10:09:14,059 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e 2025-08-31T10:09:14,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05 2025-08-31T10:09:14,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl 2025-08-31T10:09:14,067 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl 2025-08-31T10:09:14,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3 2025-08-31T10:09:14,071 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3 2025-08-31T10:09:14,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n 2025-08-31T10:09:14,075 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n 2025-08-31T10:09:14,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2 2025-08-31T10:09:14,078 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2 2025-08-31T10:09:14,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A 2025-08-31T10:09:14,082 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A 2025-08-31T10:09:14,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s 2025-08-31T10:09:14,085 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s 2025-08-31T10:09:14,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5 2025-08-31T10:09:14,089 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5 2025-08-31T10:09:14,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he 2025-08-31T10:09:14,092 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he 2025-08-31T10:09:14,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68 2025-08-31T10:09:14,095 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68 2025-08-31T10:09:14,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74 2025-08-31T10:09:14,099 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74 2025-08-31T10:09:14,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71 2025-08-31T10:09:14,102 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71 2025-08-31T10:09:14,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1 2025-08-31T10:09:14,105 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1 2025-08-31T10:09:14,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans 2025-08-31T10:09:14,109 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans 2025-08-31T10:09:14,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar 2025-08-31T10:09:14,112 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar 2025-08-31T10:09:14,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh 2025-08-31T10:09:14,115 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh 2025-08-31T10:09:14,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80 2025-08-31T10:09:14,119 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80 2025-08-31T10:09:14,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2 2025-08-31T10:09:14,122 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2 2025-08-31T10:09:14,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S 2025-08-31T10:09:14,125 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S 2025-08-31T10:09:14,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts 2025-08-31T10:09:14,129 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts 2025-08-31T10:09:14,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A 2025-08-31T10:09:14,132 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A 2025-08-31T10:09:14,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh 2025-08-31T10:09:14,135 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh 2025-08-31T10:09:14,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc 2025-08-31T10:09:14,139 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc 2025-08-31T10:09:14,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4 2025-08-31T10:09:14,142 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4 2025-08-31T10:09:14,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75 2025-08-31T10:09:14,145 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75 2025-08-31T10:09:14,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1 2025-08-31T10:09:14,149 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1 2025-08-31T10:09:14,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis 2025-08-31T10:09:14,152 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis 2025-08-31T10:09:14,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8 2025-08-31T10:09:14,155 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8 2025-08-31T10:09:14,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76 2025-08-31T10:09:14,159 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76 2025-08-31T10:09:14,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2 2025-08-31T10:09:14,162 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2 2025-08-31T10:09:14,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr 2025-08-31T10:09:14,166 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr 2025-08-31T10:09:14,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2 2025-08-31T10:09:14,169 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2 2025-08-31T10:09:14,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf 2025-08-31T10:09:14,172 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf 2025-08-31T10:09:14,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf 2025-08-31T10:09:14,176 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf 2025-08-31T10:09:14,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al 2025-08-31T10:09:14,179 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al 2025-08-31T10:09:14,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k 2025-08-31T10:09:14,182 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k 2025-08-31T10:09:14,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3 2025-08-31T10:09:14,185 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3 2025-08-31T10:09:14,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c 2025-08-31T10:09:14,189 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c 2025-08-31T10:09:14,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be 2025-08-31T10:09:14,192 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be 2025-08-31T10:09:14,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis 2025-08-31T10:09:14,195 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis 2025-08-31T10:09:14,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p 2025-08-31T10:09:14,199 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p 2025-08-31T10:09:14,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2 2025-08-31T10:09:14,202 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2 2025-08-31T10:09:14,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B 2025-08-31T10:09:14,207 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B 2025-08-31T10:09:14,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+ 2025-08-31T10:09:14,210 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+ 2025-08-31T10:09:14,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar 2025-08-31T10:09:14,214 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar 2025-08-31T10:09:14,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH 2025-08-31T10:09:14,217 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH 2025-08-31T10:09:14,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64 2025-08-31T10:09:14,220 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64 2025-08-31T10:09:14,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2 2025-08-31T10:09:14,224 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2 2025-08-31T10:09:14,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34 2025-08-31T10:09:14,227 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34 2025-08-31T10:09:14,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s 2025-08-31T10:09:14,231 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s 2025-08-31T10:09:14,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco 2025-08-31T10:09:14,234 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco 2025-08-31T10:09:14,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr 2025-08-31T10:09:14,237 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr 2025-08-31T10:09:14,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20 2025-08-31T10:09:14,241 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20 2025-08-31T10:09:14,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73 2025-08-31T10:09:14,244 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73 2025-08-31T10:09:14,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2 2025-08-31T10:09:14,247 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2 2025-08-31T10:09:14,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b 2025-08-31T10:09:14,251 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b 2025-08-31T10:09:14,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf 2025-08-31T10:09:14,255 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf 2025-08-31T10:09:14,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+ 2025-08-31T10:09:14,258 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+ 2025-08-31T10:09:14,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2 2025-08-31T10:09:14,261 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2 2025-08-31T10:09:14,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2 2025-08-31T10:09:14,265 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2 2025-08-31T10:09:14,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a 2025-08-31T10:09:14,268 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a 2025-08-31T10:09:14,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3 2025-08-31T10:09:14,271 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3 2025-08-31T10:09:14,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3 2025-08-31T10:09:14,274 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3 2025-08-31T10:09:14,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+ 2025-08-31T10:09:14,278 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+ 2025-08-31T10:09:14,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f 2025-08-31T10:09:14,281 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f 2025-08-31T10:09:14,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic 2025-08-31T10:09:14,284 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic 2025-08-31T10:09:14,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts 2025-08-31T10:09:14,288 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts 2025-08-31T10:09:14,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18 2025-08-31T10:09:14,291 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18 2025-08-31T10:09:14,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS 2025-08-31T10:09:14,295 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS 2025-08-31T10:09:14,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH 2025-08-31T10:09:14,298 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH 2025-08-31T10:09:14,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59 2025-08-31T10:09:14,302 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59 2025-08-31T10:09:14,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20 2025-08-31T10:09:14,305 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20 2025-08-31T10:09:14,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40 2025-08-31T10:09:14,308 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40 2025-08-31T10:09:14,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2 2025-08-31T10:09:14,312 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2 2025-08-31T10:09:14,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr 2025-08-31T10:09:14,315 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr 2025-08-31T10:09:14,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr 2025-08-31T10:09:14,318 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr 2025-08-31T10:09:14,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47 2025-08-31T10:09:14,322 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47 2025-08-31T10:09:14,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67 2025-08-31T10:09:14,325 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67 2025-08-31T10:09:14,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2 2025-08-31T10:09:14,329 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2 2025-08-31T10:09:14,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o 2025-08-31T10:09:14,333 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o 2025-08-31T10:09:14,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne 2025-08-31T10:09:14,337 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne 2025-08-31T10:09:14,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17 2025-08-31T10:09:14,341 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17 2025-08-31T10:09:14,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13 2025-08-31T10:09:14,344 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13 2025-08-31T10:09:14,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4 2025-08-31T10:09:14,347 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4 2025-08-31T10:09:14,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH 2025-08-31T10:09:14,351 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH 2025-08-31T10:09:14,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12 2025-08-31T10:09:14,354 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12 2025-08-31T10:09:14,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58 2025-08-31T10:09:14,357 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58 2025-08-31T10:09:14,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1 2025-08-31T10:09:14,361 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1 2025-08-31T10:09:14,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3 2025-08-31T10:09:14,365 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3 2025-08-31T10:09:14,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts 2025-08-31T10:09:14,368 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts 2025-08-31T10:09:14,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25 2025-08-31T10:09:14,371 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25 2025-08-31T10:09:14,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+ 2025-08-31T10:09:14,375 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+ 2025-08-31T10:09:14,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4 2025-08-31T10:09:14,378 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4 2025-08-31T10:09:14,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4 2025-08-31T10:09:14,382 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4 2025-08-31T10:09:14,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs 2025-08-31T10:09:14,385 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs 2025-08-31T10:09:14,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn 2025-08-31T10:09:14,389 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn 2025-08-31T10:09:14,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B 2025-08-31T10:09:14,392 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B 2025-08-31T10:09:14,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25 2025-08-31T10:09:14,395 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25 2025-08-31T10:09:14,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6 2025-08-31T10:09:14,399 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6 2025-08-31T10:09:14,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25 2025-08-31T10:09:14,402 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25 2025-08-31T10:09:14,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4 2025-08-31T10:09:14,406 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4 2025-08-31T10:09:14,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B 2025-08-31T10:09:14,409 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B 2025-08-31T10:09:14,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe 2025-08-31T10:09:14,413 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe 2025-08-31T10:09:14,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao 2025-08-31T10:09:14,417 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao 2025-08-31T10:09:14,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp 2025-08-31T10:09:14,420 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp 2025-08-31T10:09:14,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1 2025-08-31T10:09:14,424 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1 2025-08-31T10:09:14,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20 2025-08-31T10:09:14,427 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20 2025-08-31T10:09:14,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p 2025-08-31T10:09:14,430 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p 2025-08-31T10:09:14,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg 2025-08-31T10:09:14,434 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg 2025-08-31T10:09:14,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14 2025-08-31T10:09:14,437 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14 2025-08-31T10:09:14,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2 2025-08-31T10:09:14,441 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2 2025-08-31T10:09:14,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24 2025-08-31T10:09:14,445 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24 2025-08-31T10:09:14,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n 2025-08-31T10:09:14,449 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n 2025-08-31T10:09:14,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s 2025-08-31T10:09:14,454 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s 2025-08-31T10:09:14,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl 2025-08-31T10:09:14,458 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl 2025-08-31T10:09:14,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45 2025-08-31T10:09:14,471 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45 2025-08-31T10:09:14,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl 2025-08-31T10:09:14,475 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl 2025-08-31T10:09:14,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78 2025-08-31T10:09:14,479 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78 2025-08-31T10:09:14,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b 2025-08-31T10:09:14,484 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b 2025-08-31T10:09:14,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B 2025-08-31T10:09:14,490 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B 2025-08-31T10:09:14,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl 2025-08-31T10:09:14,496 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl 2025-08-31T10:09:14,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10 2025-08-31T10:09:14,503 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10 2025-08-31T10:09:14,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n 2025-08-31T10:09:14,511 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n 2025-08-31T10:09:14,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2 2025-08-31T10:09:14,534 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2 2025-08-31T10:09:14,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20 2025-08-31T10:09:14,546 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20 2025-08-31T10:09:14,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5 2025-08-31T10:09:14,550 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5 2025-08-31T10:09:14,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43 2025-08-31T10:09:14,554 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43 2025-08-31T10:09:14,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h 2025-08-31T10:09:14,558 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h 2025-08-31T10:09:14,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3 2025-08-31T10:09:14,568 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3 2025-08-31T10:09:14,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A 2025-08-31T10:09:14,577 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A 2025-08-31T10:09:14,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s- 2025-08-31T10:09:14,592 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s- 2025-08-31T10:09:14,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca 2025-08-31T10:09:14,610 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca 2025-08-31T10:09:14,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02 2025-08-31T10:09:14,631 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02 2025-08-31T10:09:14,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+ 2025-08-31T10:09:14,650 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+ 2025-08-31T10:09:14,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl 2025-08-31T10:09:14,658 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl 2025-08-31T10:09:14,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A 2025-08-31T10:09:14,662 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A 2025-08-31T10:09:14,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si 2025-08-31T10:09:14,665 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si 2025-08-31T10:09:14,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A 2025-08-31T10:09:14,669 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A 2025-08-31T10:09:14,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A 2025-08-31T10:09:14,672 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A 2025-08-31T10:09:14,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots 2025-08-31T10:09:14,676 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots 2025-08-31T10:09:14,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n 2025-08-31T10:09:14,679 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n 2025-08-31T10:09:14,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A 2025-08-31T10:09:14,683 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A 2025-08-31T10:09:14,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n 2025-08-31T10:09:14,687 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n 2025-08-31T10:09:14,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi 2025-08-31T10:09:14,690 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi 2025-08-31T10:09:14,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O 2025-08-31T10:09:14,693 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O 2025-08-31T10:09:14,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2 2025-08-31T10:09:14,697 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2 2025-08-31T10:09:14,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne 2025-08-31T10:09:14,700 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne 2025-08-31T10:09:14,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn 2025-08-31T10:09:14,704 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn 2025-08-31T10:09:14,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2 2025-08-31T10:09:14,707 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2 2025-08-31T10:09:14,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B 2025-08-31T10:09:14,711 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B 2025-08-31T10:09:14,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B 2025-08-31T10:09:14,715 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B 2025-08-31T10:09:14,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p 2025-08-31T10:09:14,718 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p 2025-08-31T10:09:14,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39 2025-08-31T10:09:14,722 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39 2025-08-31T10:09:14,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f 2025-08-31T10:09:14,726 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f 2025-08-31T10:09:14,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo 2025-08-31T10:09:14,730 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo 2025-08-31T10:09:14,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm 2025-08-31T10:09:14,733 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm 2025-08-31T10:09:14,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS 2025-08-31T10:09:14,737 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS 2025-08-31T10:09:14,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo 2025-08-31T10:09:14,740 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo 2025-08-31T10:09:14,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s 2025-08-31T10:09:14,743 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s 2025-08-31T10:09:14,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp 2025-08-31T10:09:14,747 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp 2025-08-31T10:09:14,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+ 2025-08-31T10:09:14,750 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+ 2025-08-31T10:09:14,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48 2025-08-31T10:09:14,754 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48 2025-08-31T10:09:14,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh 2025-08-31T10:09:14,759 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh 2025-08-31T10:09:14,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl 2025-08-31T10:09:14,779 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl 2025-08-31T10:09:14,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl 2025-08-31T10:09:14,793 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl 2025-08-31T10:09:14,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O 2025-08-31T10:09:14,818 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O 2025-08-31T10:09:14,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A 2025-08-31T10:09:14,836 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A 2025-08-31T10:09:14,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21 2025-08-31T10:09:14,861 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21 2025-08-31T10:09:14,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B 2025-08-31T10:09:14,887 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B 2025-08-31T10:09:14,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2 2025-08-31T10:09:14,899 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2 2025-08-31T10:09:14,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+ 2025-08-31T10:09:14,902 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+ 2025-08-31T10:09:14,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel 2025-08-31T10:09:14,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43 2025-08-31T10:09:14,908 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43 2025-08-31T10:09:14,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0 2025-08-31T10:09:14,912 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0 2025-08-31T10:09:14,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3 2025-08-31T10:09:14,916 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3 2025-08-31T10:09:14,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42 2025-08-31T10:09:14,919 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42 2025-08-31T10:09:14,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2 2025-08-31T10:09:14,923 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2 2025-08-31T10:09:14,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72 2025-08-31T10:09:14,927 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72 2025-08-31T10:09:14,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4 2025-08-31T10:09:14,930 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4 2025-08-31T10:09:14,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72 2025-08-31T10:09:14,934 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72 2025-08-31T10:09:14,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1 2025-08-31T10:09:14,938 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1 2025-08-31T10:09:14,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71 2025-08-31T10:09:14,941 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71 2025-08-31T10:09:14,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41 2025-08-31T10:09:14,944 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41 2025-08-31T10:09:14,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2 2025-08-31T10:09:14,948 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2 2025-08-31T10:09:14,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1 2025-08-31T10:09:14,951 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1 2025-08-31T10:09:14,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3 2025-08-31T10:09:14,955 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3 2025-08-31T10:09:14,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2 2025-08-31T10:09:14,958 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2 2025-08-31T10:09:14,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3 2025-08-31T10:09:14,962 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3 2025-08-31T10:09:14,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42 2025-08-31T10:09:14,965 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42 2025-08-31T10:09:14,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0 2025-08-31T10:09:14,969 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0 2025-08-31T10:09:14,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41 2025-08-31T10:09:14,972 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41 2025-08-31T10:09:14,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2 2025-08-31T10:09:14,976 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2 2025-08-31T10:09:14,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42 2025-08-31T10:09:14,980 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42 2025-08-31T10:09:14,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0 2025-08-31T10:09:14,984 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0 2025-08-31T10:09:14,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3 2025-08-31T10:09:14,987 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3 2025-08-31T10:09:14,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1 2025-08-31T10:09:14,991 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1 2025-08-31T10:09:14,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71 2025-08-31T10:09:14,994 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71 2025-08-31T10:09:14,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2 2025-08-31T10:09:14,997 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2 2025-08-31T10:09:15,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1 2025-08-31T10:09:15,001 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1 2025-08-31T10:09:15,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0 2025-08-31T10:09:15,004 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0 2025-08-31T10:09:15,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41 2025-08-31T10:09:15,008 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41 2025-08-31T10:09:15,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0 2025-08-31T10:09:15,011 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0 2025-08-31T10:09:15,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2 2025-08-31T10:09:15,015 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2 2025-08-31T10:09:15,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP 2025-08-31T10:09:15,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22 2025-08-31T10:09:15,020 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22 2025-08-31T10:09:15,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f 2025-08-31T10:09:15,024 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f 2025-08-31T10:09:15,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1 2025-08-31T10:09:15,028 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1 2025-08-31T10:09:15,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2 2025-08-31T10:09:15,031 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2 2025-08-31T10:09:15,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2 2025-08-31T10:09:15,035 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2 2025-08-31T10:09:15,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f 2025-08-31T10:09:15,039 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f 2025-08-31T10:09:15,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l 2025-08-31T10:09:15,042 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l 2025-08-31T10:09:15,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant 2025-08-31T10:09:15,046 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant 2025-08-31T10:09:15,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene 2025-08-31T10:09:15,049 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene 2025-08-31T10:09:15,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer 2025-08-31T10:09:15,053 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer 2025-08-31T10:09:15,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l 2025-08-31T10:09:15,057 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l 2025-08-31T10:09:15,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1 2025-08-31T10:09:15,060 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1 2025-08-31T10:09:15,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2 2025-08-31T10:09:15,064 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2 2025-08-31T10:09:15,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24 2025-08-31T10:09:15,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole 2025-08-31T10:09:15,070 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole 2025-08-31T10:09:15,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS 2025-08-31T10:09:15,074 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS 2025-08-31T10:09:15,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S 2025-08-31T10:09:15,077 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S 2025-08-31T10:09:15,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2025-08-31T10:09:15,081 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2025-08-31T10:09:15,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene 2025-08-31T10:09:15,084 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene 2025-08-31T10:09:15,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS 2025-08-31T10:09:15,088 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS 2025-08-31T10:09:15,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS 2025-08-31T10:09:15,092 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS 2025-08-31T10:09:15,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene 2025-08-31T10:09:15,095 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene 2025-08-31T10:09:15,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2 2025-08-31T10:09:15,099 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2 2025-08-31T10:09:15,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene 2025-08-31T10:09:15,103 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene 2025-08-31T10:09:15,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene 2025-08-31T10:09:15,106 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene 2025-08-31T10:09:15,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS 2025-08-31T10:09:15,110 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS 2025-08-31T10:09:15,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine 2025-08-31T10:09:15,114 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine 2025-08-31T10:09:15,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS 2025-08-31T10:09:15,117 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS 2025-08-31T10:09:15,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS 2025-08-31T10:09:15,121 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS 2025-08-31T10:09:15,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS 2025-08-31T10:09:15,124 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS 2025-08-31T10:09:15,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS 2025-08-31T10:09:15,128 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS 2025-08-31T10:09:15,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS 2025-08-31T10:09:15,131 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS 2025-08-31T10:09:15,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS 2025-08-31T10:09:15,135 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS 2025-08-31T10:09:15,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS 2025-08-31T10:09:15,138 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS 2025-08-31T10:09:15,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS 2025-08-31T10:09:15,142 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS 2025-08-31T10:09:15,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene 2025-08-31T10:09:15,146 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene 2025-08-31T10:09:15,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether 2025-08-31T10:09:15,149 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether 2025-08-31T10:09:15,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene 2025-08-31T10:09:15,153 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene 2025-08-31T10:09:15,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph 2025-08-31T10:09:15,156 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph 2025-08-31T10:09:15,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS 2025-08-31T10:09:15,160 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS 2025-08-31T10:09:15,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3 2025-08-31T10:09:15,164 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3 2025-08-31T10:09:15,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene 2025-08-31T10:09:15,167 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene 2025-08-31T10:09:15,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS 2025-08-31T10:09:15,170 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS 2025-08-31T10:09:15,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3 2025-08-31T10:09:15,174 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3 2025-08-31T10:09:15,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene 2025-08-31T10:09:15,178 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene 2025-08-31T10:09:15,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS 2025-08-31T10:09:15,181 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS 2025-08-31T10:09:15,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS 2025-08-31T10:09:15,185 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS 2025-08-31T10:09:15,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene 2025-08-31T10:09:15,188 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene 2025-08-31T10:09:15,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene 2025-08-31T10:09:15,192 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene 2025-08-31T10:09:15,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS 2025-08-31T10:09:15,196 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS 2025-08-31T10:09:15,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether 2025-08-31T10:09:15,200 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether 2025-08-31T10:09:15,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3 2025-08-31T10:09:15,203 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3 2025-08-31T10:09:15,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS 2025-08-31T10:09:15,207 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS 2025-08-31T10:09:15,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3 2025-08-31T10:09:15,210 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3 2025-08-31T10:09:15,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS 2025-08-31T10:09:15,214 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS 2025-08-31T10:09:15,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3 2025-08-31T10:09:15,217 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3 2025-08-31T10:09:15,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene 2025-08-31T10:09:15,221 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene 2025-08-31T10:09:15,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS 2025-08-31T10:09:15,226 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS 2025-08-31T10:09:15,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS 2025-08-31T10:09:15,229 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS 2025-08-31T10:09:15,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O 2025-08-31T10:09:15,233 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O 2025-08-31T10:09:15,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS 2025-08-31T10:09:15,237 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS 2025-08-31T10:09:15,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS 2025-08-31T10:09:15,242 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS 2025-08-31T10:09:15,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF 2025-08-31T10:09:15,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+ 2025-08-31T10:09:15,248 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+ 2025-08-31T10:09:15,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt 2025-08-31T10:09:15,252 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt 2025-08-31T10:09:15,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G 2025-08-31T10:09:15,257 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G 2025-08-31T10:09:15,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT 2025-08-31T10:09:15,262 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT 2025-08-31T10:09:15,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g- 2025-08-31T10:09:15,266 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g- 2025-08-31T10:09:15,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX 2025-08-31T10:09:15,270 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX 2025-08-31T10:09:15,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg 2025-08-31T10:09:15,275 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg 2025-08-31T10:09:15,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG 2025-08-31T10:09:15,280 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG 2025-08-31T10:09:15,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+ 2025-08-31T10:09:15,285 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+ 2025-08-31T10:09:15,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt 2025-08-31T10:09:15,289 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt 2025-08-31T10:09:15,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt 2025-08-31T10:09:15,294 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt 2025-08-31T10:09:15,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T 2025-08-31T10:09:15,299 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T 2025-08-31T10:09:15,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG 2025-08-31T10:09:15,303 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG 2025-08-31T10:09:15,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g- 2025-08-31T10:09:15,307 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g- 2025-08-31T10:09:15,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg 2025-08-31T10:09:15,312 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg 2025-08-31T10:09:15,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x- 2025-08-31T10:09:15,317 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x- 2025-08-31T10:09:15,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg 2025-08-31T10:09:15,322 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg 2025-08-31T10:09:15,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g- 2025-08-31T10:09:15,327 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g- 2025-08-31T10:09:15,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF 2025-08-31T10:09:15,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23 2025-08-31T10:09:15,335 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23 2025-08-31T10:09:15,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4 2025-08-31T10:09:15,339 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4 2025-08-31T10:09:15,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8 2025-08-31T10:09:15,344 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8 2025-08-31T10:09:15,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30 2025-08-31T10:09:15,348 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30 2025-08-31T10:09:15,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3 2025-08-31T10:09:15,352 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3 2025-08-31T10:09:15,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29 2025-08-31T10:09:15,356 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29 2025-08-31T10:09:15,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42 2025-08-31T10:09:15,360 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42 2025-08-31T10:09:15,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10 2025-08-31T10:09:15,364 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10 2025-08-31T10:09:15,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34 2025-08-31T10:09:15,368 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34 2025-08-31T10:09:15,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22 2025-08-31T10:09:15,372 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22 2025-08-31T10:09:15,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18 2025-08-31T10:09:15,377 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18 2025-08-31T10:09:15,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16 2025-08-31T10:09:15,381 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16 2025-08-31T10:09:15,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7 2025-08-31T10:09:15,385 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7 2025-08-31T10:09:15,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52 2025-08-31T10:09:15,389 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52 2025-08-31T10:09:15,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37 2025-08-31T10:09:15,394 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37 2025-08-31T10:09:15,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40 2025-08-31T10:09:15,397 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40 2025-08-31T10:09:15,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28 2025-08-31T10:09:15,402 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28 2025-08-31T10:09:15,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36 2025-08-31T10:09:15,406 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36 2025-08-31T10:09:15,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47 2025-08-31T10:09:15,410 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47 2025-08-31T10:09:15,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21 2025-08-31T10:09:15,413 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21 2025-08-31T10:09:15,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13 2025-08-31T10:09:15,417 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13 2025-08-31T10:09:15,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25 2025-08-31T10:09:15,420 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25 2025-08-31T10:09:15,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32 2025-08-31T10:09:15,423 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32 2025-08-31T10:09:15,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6 2025-08-31T10:09:15,427 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6 2025-08-31T10:09:15,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41 2025-08-31T10:09:15,430 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41 2025-08-31T10:09:15,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14 2025-08-31T10:09:15,434 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14 2025-08-31T10:09:15,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1 2025-08-31T10:09:15,437 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1 2025-08-31T10:09:15,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15 2025-08-31T10:09:15,441 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15 2025-08-31T10:09:15,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38 2025-08-31T10:09:15,444 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38 2025-08-31T10:09:15,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24 2025-08-31T10:09:15,448 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24 2025-08-31T10:09:15,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19 2025-08-31T10:09:15,452 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19 2025-08-31T10:09:15,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31 2025-08-31T10:09:15,455 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31 2025-08-31T10:09:15,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45 2025-08-31T10:09:15,459 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45 2025-08-31T10:09:15,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50 2025-08-31T10:09:15,462 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50 2025-08-31T10:09:15,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26 2025-08-31T10:09:15,466 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26 2025-08-31T10:09:15,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46 2025-08-31T10:09:15,469 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46 2025-08-31T10:09:15,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2 2025-08-31T10:09:15,473 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2 2025-08-31T10:09:15,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20 2025-08-31T10:09:15,476 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20 2025-08-31T10:09:15,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5 2025-08-31T10:09:15,479 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5 2025-08-31T10:09:15,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43 2025-08-31T10:09:15,483 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43 2025-08-31T10:09:15,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44 2025-08-31T10:09:15,487 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44 2025-08-31T10:09:15,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33 2025-08-31T10:09:15,490 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33 2025-08-31T10:09:15,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12 2025-08-31T10:09:15,494 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12 2025-08-31T10:09:15,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17 2025-08-31T10:09:15,498 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17 2025-08-31T10:09:15,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35 2025-08-31T10:09:15,503 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35 2025-08-31T10:09:15,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51 2025-08-31T10:09:15,509 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51 2025-08-31T10:09:15,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9 2025-08-31T10:09:15,515 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9 2025-08-31T10:09:15,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39 2025-08-31T10:09:15,521 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39 2025-08-31T10:09:15,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49 2025-08-31T10:09:15,528 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49 2025-08-31T10:09:15,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48 2025-08-31T10:09:15,537 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48 2025-08-31T10:09:15,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11 2025-08-31T10:09:15,547 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11 2025-08-31T10:09:15,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27 2025-08-31T10:09:15,559 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27 2025-08-31T10:09:15,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12 2025-08-31T10:09:15,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O 2025-08-31T10:09:15,578 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O 2025-08-31T10:09:15,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL 2025-08-31T10:09:15,586 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL 2025-08-31T10:09:15,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A 2025-08-31T10:09:15,589 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A 2025-08-31T10:09:15,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B 2025-08-31T10:09:15,592 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B 2025-08-31T10:09:15,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B 2025-08-31T10:09:15,596 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B 2025-08-31T10:09:15,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A 2025-08-31T10:09:15,599 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A 2025-08-31T10:09:15,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A 2025-08-31T10:09:15,602 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A 2025-08-31T10:09:15,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B 2025-08-31T10:09:15,606 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B 2025-08-31T10:09:15,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL 2025-08-31T10:09:15,609 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL 2025-08-31T10:09:15,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A 2025-08-31T10:09:15,612 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A 2025-08-31T10:09:15,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N 2025-08-31T10:09:15,616 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N 2025-08-31T10:09:15,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL 2025-08-31T10:09:15,619 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL 2025-08-31T10:09:15,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL 2025-08-31T10:09:15,623 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL 2025-08-31T10:09:15,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A 2025-08-31T10:09:15,626 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A 2025-08-31T10:09:15,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A 2025-08-31T10:09:15,629 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A 2025-08-31T10:09:15,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B 2025-08-31T10:09:15,633 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B 2025-08-31T10:09:15,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B 2025-08-31T10:09:15,636 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B 2025-08-31T10:09:15,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A 2025-08-31T10:09:15,639 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A 2025-08-31T10:09:15,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A 2025-08-31T10:09:15,643 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A 2025-08-31T10:09:15,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B 2025-08-31T10:09:15,646 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B 2025-08-31T10:09:15,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N 2025-08-31T10:09:15,650 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N 2025-08-31T10:09:15,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A 2025-08-31T10:09:15,653 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A 2025-08-31T10:09:15,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B 2025-08-31T10:09:15,656 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B 2025-08-31T10:09:15,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A 2025-08-31T10:09:15,660 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A 2025-08-31T10:09:15,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B 2025-08-31T10:09:15,663 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B 2025-08-31T10:09:15,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A 2025-08-31T10:09:15,667 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A 2025-08-31T10:09:15,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N 2025-08-31T10:09:15,670 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N 2025-08-31T10:09:15,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B 2025-08-31T10:09:15,674 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B 2025-08-31T10:09:15,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A 2025-08-31T10:09:15,677 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A 2025-08-31T10:09:15,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B 2025-08-31T10:09:15,681 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B 2025-08-31T10:09:15,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N 2025-08-31T10:09:15,684 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N 2025-08-31T10:09:15,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O 2025-08-31T10:09:15,687 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O 2025-08-31T10:09:15,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O 2025-08-31T10:09:15,691 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O 2025-08-31T10:09:15,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B 2025-08-31T10:09:15,694 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B 2025-08-31T10:09:15,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O 2025-08-31T10:09:15,698 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O 2025-08-31T10:09:15,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B 2025-08-31T10:09:15,701 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B 2025-08-31T10:09:15,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21 2025-08-31T10:09:15,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A 2025-08-31T10:09:15,707 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A 2025-08-31T10:09:15,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A 2025-08-31T10:09:15,711 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A 2025-08-31T10:09:15,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A 2025-08-31T10:09:15,715 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A 2025-08-31T10:09:15,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4 2025-08-31T10:09:15,718 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4 2025-08-31T10:09:15,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B 2025-08-31T10:09:15,721 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B 2025-08-31T10:09:15,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8 2025-08-31T10:09:15,725 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8 2025-08-31T10:09:15,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A 2025-08-31T10:09:15,728 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A 2025-08-31T10:09:15,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B 2025-08-31T10:09:15,731 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B 2025-08-31T10:09:15,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3 2025-08-31T10:09:15,735 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3 2025-08-31T10:09:15,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B 2025-08-31T10:09:15,738 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B 2025-08-31T10:09:15,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A 2025-08-31T10:09:15,741 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A 2025-08-31T10:09:15,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10 2025-08-31T10:09:15,745 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10 2025-08-31T10:09:15,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A 2025-08-31T10:09:15,748 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A 2025-08-31T10:09:15,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18 2025-08-31T10:09:15,752 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18 2025-08-31T10:09:15,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16 2025-08-31T10:09:15,755 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16 2025-08-31T10:09:15,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7 2025-08-31T10:09:15,758 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7 2025-08-31T10:09:15,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B 2025-08-31T10:09:15,762 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B 2025-08-31T10:09:15,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A 2025-08-31T10:09:15,765 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A 2025-08-31T10:09:15,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B 2025-08-31T10:09:15,768 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B 2025-08-31T10:09:15,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21 2025-08-31T10:09:15,772 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21 2025-08-31T10:09:15,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B 2025-08-31T10:09:15,775 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B 2025-08-31T10:09:15,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13 2025-08-31T10:09:15,779 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13 2025-08-31T10:09:15,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B 2025-08-31T10:09:15,782 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B 2025-08-31T10:09:15,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B 2025-08-31T10:09:15,786 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B 2025-08-31T10:09:15,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6 2025-08-31T10:09:15,789 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6 2025-08-31T10:09:15,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A 2025-08-31T10:09:15,792 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A 2025-08-31T10:09:15,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B 2025-08-31T10:09:15,796 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B 2025-08-31T10:09:15,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14 2025-08-31T10:09:15,799 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14 2025-08-31T10:09:15,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1 2025-08-31T10:09:15,803 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1 2025-08-31T10:09:15,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A 2025-08-31T10:09:15,806 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A 2025-08-31T10:09:15,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15 2025-08-31T10:09:15,810 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15 2025-08-31T10:09:15,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B 2025-08-31T10:09:15,813 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B 2025-08-31T10:09:15,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A 2025-08-31T10:09:15,816 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A 2025-08-31T10:09:15,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19 2025-08-31T10:09:15,820 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19 2025-08-31T10:09:15,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A 2025-08-31T10:09:15,823 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A 2025-08-31T10:09:15,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B 2025-08-31T10:09:15,827 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B 2025-08-31T10:09:15,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B 2025-08-31T10:09:15,830 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B 2025-08-31T10:09:15,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B 2025-08-31T10:09:15,834 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B 2025-08-31T10:09:15,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2 2025-08-31T10:09:15,837 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2 2025-08-31T10:09:15,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20 2025-08-31T10:09:15,841 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20 2025-08-31T10:09:15,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B 2025-08-31T10:09:15,844 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B 2025-08-31T10:09:15,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5 2025-08-31T10:09:15,848 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5 2025-08-31T10:09:15,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A 2025-08-31T10:09:15,851 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A 2025-08-31T10:09:15,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A 2025-08-31T10:09:15,854 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A 2025-08-31T10:09:15,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B 2025-08-31T10:09:15,858 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B 2025-08-31T10:09:15,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A 2025-08-31T10:09:15,861 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A 2025-08-31T10:09:15,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B 2025-08-31T10:09:15,864 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B 2025-08-31T10:09:15,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A 2025-08-31T10:09:15,868 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A 2025-08-31T10:09:15,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B 2025-08-31T10:09:15,871 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B 2025-08-31T10:09:15,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A 2025-08-31T10:09:15,875 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A 2025-08-31T10:09:15,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A 2025-08-31T10:09:15,878 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A 2025-08-31T10:09:15,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12 2025-08-31T10:09:15,881 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12 2025-08-31T10:09:15,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17 2025-08-31T10:09:15,885 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17 2025-08-31T10:09:15,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A 2025-08-31T10:09:15,889 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A 2025-08-31T10:09:15,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B 2025-08-31T10:09:15,892 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B 2025-08-31T10:09:15,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9 2025-08-31T10:09:15,895 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9 2025-08-31T10:09:15,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A 2025-08-31T10:09:15,899 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A 2025-08-31T10:09:15,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B 2025-08-31T10:09:15,902 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B 2025-08-31T10:09:15,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A 2025-08-31T10:09:15,906 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A 2025-08-31T10:09:15,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B 2025-08-31T10:09:15,909 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B 2025-08-31T10:09:15,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A 2025-08-31T10:09:15,912 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A 2025-08-31T10:09:15,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B 2025-08-31T10:09:15,916 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B 2025-08-31T10:09:15,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11 2025-08-31T10:09:15,919 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11 2025-08-31T10:09:15,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11 2025-08-31T10:09:15,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl 2025-08-31T10:09:15,926 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl 2025-08-31T10:09:15,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal 2025-08-31T10:09:15,930 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal 2025-08-31T10:09:15,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn 2025-08-31T10:09:15,933 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn 2025-08-31T10:09:15,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh 2025-08-31T10:09:15,937 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh 2025-08-31T10:09:15,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2 2025-08-31T10:09:15,940 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2 2025-08-31T10:09:15,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4 2025-08-31T10:09:15,943 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4 2025-08-31T10:09:15,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh 2025-08-31T10:09:15,947 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh 2025-08-31T10:09:15,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2 2025-08-31T10:09:15,950 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2 2025-08-31T10:09:15,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2 2025-08-31T10:09:15,953 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2 2025-08-31T10:09:15,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs 2025-08-31T10:09:15,957 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs 2025-08-31T10:09:15,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4 2025-08-31T10:09:15,960 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4 2025-08-31T10:09:15,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh 2025-08-31T10:09:15,964 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh 2025-08-31T10:09:15,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc 2025-08-31T10:09:15,967 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc 2025-08-31T10:09:15,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p 2025-08-31T10:09:15,970 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p 2025-08-31T10:09:15,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o 2025-08-31T10:09:15,974 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o 2025-08-31T10:09:15,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn 2025-08-31T10:09:15,977 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn 2025-08-31T10:09:15,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2 2025-08-31T10:09:15,981 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2 2025-08-31T10:09:15,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh 2025-08-31T10:09:15,984 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh 2025-08-31T10:09:15,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2 2025-08-31T10:09:15,987 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2 2025-08-31T10:09:15,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh 2025-08-31T10:09:15,990 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh 2025-08-31T10:09:15,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf 2025-08-31T10:09:15,994 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf 2025-08-31T10:09:15,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c 2025-08-31T10:09:15,997 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c 2025-08-31T10:09:15,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no 2025-08-31T10:09:16,001 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no 2025-08-31T10:09:16,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o 2025-08-31T10:09:16,004 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o 2025-08-31T10:09:16,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al 2025-08-31T10:09:16,007 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al 2025-08-31T10:09:16,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs 2025-08-31T10:09:16,011 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs 2025-08-31T10:09:16,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3 2025-08-31T10:09:16,014 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3 2025-08-31T10:09:16,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn 2025-08-31T10:09:16,018 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn 2025-08-31T10:09:16,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c 2025-08-31T10:09:16,022 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c 2025-08-31T10:09:16,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc 2025-08-31T10:09:16,025 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc 2025-08-31T10:09:16,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be 2025-08-31T10:09:16,028 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be 2025-08-31T10:09:16,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o 2025-08-31T10:09:16,031 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o 2025-08-31T10:09:16,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf 2025-08-31T10:09:16,034 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf 2025-08-31T10:09:16,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6 2025-08-31T10:09:16,037 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6 2025-08-31T10:09:16,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n 2025-08-31T10:09:16,041 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n 2025-08-31T10:09:16,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono 2025-08-31T10:09:16,044 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono 2025-08-31T10:09:16,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif 2025-08-31T10:09:16,048 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif 2025-08-31T10:09:16,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4 2025-08-31T10:09:16,051 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4 2025-08-31T10:09:16,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch 2025-08-31T10:09:16,054 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch 2025-08-31T10:09:16,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde 2025-08-31T10:09:16,058 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde 2025-08-31T10:09:16,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o 2025-08-31T10:09:16,061 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o 2025-08-31T10:09:16,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene 2025-08-31T10:09:16,064 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene 2025-08-31T10:09:16,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2 2025-08-31T10:09:16,067 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2 2025-08-31T10:09:16,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2 2025-08-31T10:09:16,071 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2 2025-08-31T10:09:16,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3 2025-08-31T10:09:16,074 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3 2025-08-31T10:09:16,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s 2025-08-31T10:09:16,077 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s 2025-08-31T10:09:16,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco 2025-08-31T10:09:16,081 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco 2025-08-31T10:09:16,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane 2025-08-31T10:09:16,084 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane 2025-08-31T10:09:16,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2 2025-08-31T10:09:16,087 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2 2025-08-31T10:09:16,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf 2025-08-31T10:09:16,091 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf 2025-08-31T10:09:16,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo 2025-08-31T10:09:16,094 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo 2025-08-31T10:09:16,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4 2025-08-31T10:09:16,098 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4 2025-08-31T10:09:16,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2 2025-08-31T10:09:16,101 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2 2025-08-31T10:09:16,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf 2025-08-31T10:09:16,105 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf 2025-08-31T10:09:16,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2 2025-08-31T10:09:16,108 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2 2025-08-31T10:09:16,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof 2025-08-31T10:09:16,111 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof 2025-08-31T10:09:16,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4 2025-08-31T10:09:16,115 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4 2025-08-31T10:09:16,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f 2025-08-31T10:09:16,118 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f 2025-08-31T10:09:16,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3 2025-08-31T10:09:16,121 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3 2025-08-31T10:09:16,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f 2025-08-31T10:09:16,125 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f 2025-08-31T10:09:16,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic 2025-08-31T10:09:16,129 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic 2025-08-31T10:09:16,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo 2025-08-31T10:09:16,132 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo 2025-08-31T10:09:16,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene 2025-08-31T10:09:16,136 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene 2025-08-31T10:09:16,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh 2025-08-31T10:09:16,139 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh 2025-08-31T10:09:16,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2 2025-08-31T10:09:16,143 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2 2025-08-31T10:09:16,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2 2025-08-31T10:09:16,146 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2 2025-08-31T10:09:16,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol 2025-08-31T10:09:16,150 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol 2025-08-31T10:09:16,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn 2025-08-31T10:09:16,153 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn 2025-08-31T10:09:16,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2 2025-08-31T10:09:16,156 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2 2025-08-31T10:09:16,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof 2025-08-31T10:09:16,160 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof 2025-08-31T10:09:16,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2 2025-08-31T10:09:16,164 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2 2025-08-31T10:09:16,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o 2025-08-31T10:09:16,167 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o 2025-08-31T10:09:16,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f 2025-08-31T10:09:16,171 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f 2025-08-31T10:09:16,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4 2025-08-31T10:09:16,175 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4 2025-08-31T10:09:16,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3 2025-08-31T10:09:16,179 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3 2025-08-31T10:09:16,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2 2025-08-31T10:09:16,182 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2 2025-08-31T10:09:16,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3 2025-08-31T10:09:16,186 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3 2025-08-31T10:09:16,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4 2025-08-31T10:09:16,190 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4 2025-08-31T10:09:16,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi 2025-08-31T10:09:16,194 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi 2025-08-31T10:09:16,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn 2025-08-31T10:09:16,197 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn 2025-08-31T10:09:16,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3 2025-08-31T10:09:16,201 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3 2025-08-31T10:09:16,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn 2025-08-31T10:09:16,205 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn 2025-08-31T10:09:16,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing 2025-08-31T10:09:16,208 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing 2025-08-31T10:09:16,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2 2025-08-31T10:09:16,212 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2 2025-08-31T10:09:16,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3 2025-08-31T10:09:16,215 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3 2025-08-31T10:09:16,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6 2025-08-31T10:09:16,219 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6 2025-08-31T10:09:16,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane 2025-08-31T10:09:16,223 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane 2025-08-31T10:09:16,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2 2025-08-31T10:09:16,226 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2 2025-08-31T10:09:16,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo 2025-08-31T10:09:16,231 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo 2025-08-31T10:09:16,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip 2025-08-31T10:09:16,236 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip 2025-08-31T10:09:16,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn 2025-08-31T10:09:16,239 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn 2025-08-31T10:09:16,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2 2025-08-31T10:09:16,243 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2 2025-08-31T10:09:16,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so 2025-08-31T10:09:16,246 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so 2025-08-31T10:09:16,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co 2025-08-31T10:09:16,250 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co 2025-08-31T10:09:16,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2 2025-08-31T10:09:16,254 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2 2025-08-31T10:09:16,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2 2025-08-31T10:09:16,257 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2 2025-08-31T10:09:16,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s 2025-08-31T10:09:16,260 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s 2025-08-31T10:09:16,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno 2025-08-31T10:09:16,264 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno 2025-08-31T10:09:16,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch 2025-08-31T10:09:16,267 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch 2025-08-31T10:09:16,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol 2025-08-31T10:09:16,271 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol 2025-08-31T10:09:16,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of 2025-08-31T10:09:16,275 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of 2025-08-31T10:09:16,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2 2025-08-31T10:09:16,278 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2 2025-08-31T10:09:16,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl 2025-08-31T10:09:16,282 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl 2025-08-31T10:09:16,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b 2025-08-31T10:09:16,285 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b 2025-08-31T10:09:16,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene 2025-08-31T10:09:16,289 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene 2025-08-31T10:09:16,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh 2025-08-31T10:09:16,292 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh 2025-08-31T10:09:16,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo 2025-08-31T10:09:16,296 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo 2025-08-31T10:09:16,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl 2025-08-31T10:09:16,299 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl 2025-08-31T10:09:16,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno 2025-08-31T10:09:16,303 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno 2025-08-31T10:09:16,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h 2025-08-31T10:09:16,306 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h 2025-08-31T10:09:16,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco 2025-08-31T10:09:16,310 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco 2025-08-31T10:09:16,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch 2025-08-31T10:09:16,313 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch 2025-08-31T10:09:16,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic 2025-08-31T10:09:16,317 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic 2025-08-31T10:09:16,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf 2025-08-31T10:09:16,321 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf 2025-08-31T10:09:16,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2 2025-08-31T10:09:16,324 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2 2025-08-31T10:09:16,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh 2025-08-31T10:09:16,328 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh 2025-08-31T10:09:16,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof 2025-08-31T10:09:16,331 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof 2025-08-31T10:09:16,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f 2025-08-31T10:09:16,334 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f 2025-08-31T10:09:16,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf 2025-08-31T10:09:16,337 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf 2025-08-31T10:09:16,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o 2025-08-31T10:09:16,340 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o 2025-08-31T10:09:16,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si 2025-08-31T10:09:16,344 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si 2025-08-31T10:09:16,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co 2025-08-31T10:09:16,347 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co 2025-08-31T10:09:16,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs 2025-08-31T10:09:16,351 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs 2025-08-31T10:09:16,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf 2025-08-31T10:09:16,354 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf 2025-08-31T10:09:16,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2 2025-08-31T10:09:16,357 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2 2025-08-31T10:09:16,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio 2025-08-31T10:09:16,360 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio 2025-08-31T10:09:16,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3 2025-08-31T10:09:16,364 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3 2025-08-31T10:09:16,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2 2025-08-31T10:09:16,367 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2 2025-08-31T10:09:16,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl 2025-08-31T10:09:16,370 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl 2025-08-31T10:09:16,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h 2025-08-31T10:09:16,373 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h 2025-08-31T10:09:16,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6 2025-08-31T10:09:16,377 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6 2025-08-31T10:09:16,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn 2025-08-31T10:09:16,380 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn 2025-08-31T10:09:16,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih 2025-08-31T10:09:16,384 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih 2025-08-31T10:09:16,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3 2025-08-31T10:09:16,387 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3 2025-08-31T10:09:16,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh 2025-08-31T10:09:16,390 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh 2025-08-31T10:09:16,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene 2025-08-31T10:09:16,394 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene 2025-08-31T10:09:16,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3 2025-08-31T10:09:16,397 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3 2025-08-31T10:09:16,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co 2025-08-31T10:09:16,400 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co 2025-08-31T10:09:16,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f 2025-08-31T10:09:16,404 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f 2025-08-31T10:09:16,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane 2025-08-31T10:09:16,407 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane 2025-08-31T10:09:16,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo 2025-08-31T10:09:16,410 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo 2025-08-31T10:09:16,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3 2025-08-31T10:09:16,414 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3 2025-08-31T10:09:16,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh 2025-08-31T10:09:16,417 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh 2025-08-31T10:09:16,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne 2025-08-31T10:09:16,420 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne 2025-08-31T10:09:16,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo 2025-08-31T10:09:16,424 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo 2025-08-31T10:09:16,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2 2025-08-31T10:09:16,427 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2 2025-08-31T10:09:16,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2 2025-08-31T10:09:16,431 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2 2025-08-31T10:09:16,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v 2025-08-31T10:09:16,434 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v 2025-08-31T10:09:16,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh 2025-08-31T10:09:16,437 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh 2025-08-31T10:09:16,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl 2025-08-31T10:09:16,441 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl 2025-08-31T10:09:16,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono 2025-08-31T10:09:16,444 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono 2025-08-31T10:09:16,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2 2025-08-31T10:09:16,447 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2 2025-08-31T10:09:16,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16 2025-08-31T10:09:16,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B 2025-08-31T10:09:16,453 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B 2025-08-31T10:09:16,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227 2025-08-31T10:09:16,456 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227 2025-08-31T10:09:16,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147 2025-08-31T10:09:16,459 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147 2025-08-31T10:09:16,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B 2025-08-31T10:09:16,462 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B 2025-08-31T10:09:16,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A 2025-08-31T10:09:16,466 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A 2025-08-31T10:09:16,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150 2025-08-31T10:09:16,469 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150 2025-08-31T10:09:16,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B 2025-08-31T10:09:16,472 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B 2025-08-31T10:09:16,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A 2025-08-31T10:09:16,479 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A 2025-08-31T10:09:16,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B 2025-08-31T10:09:16,482 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B 2025-08-31T10:09:16,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A 2025-08-31T10:09:16,485 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A 2025-08-31T10:09:16,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A 2025-08-31T10:09:16,488 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A 2025-08-31T10:09:16,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B 2025-08-31T10:09:16,492 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B 2025-08-31T10:09:16,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A 2025-08-31T10:09:16,496 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A 2025-08-31T10:09:16,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B 2025-08-31T10:09:16,499 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B 2025-08-31T10:09:16,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187 2025-08-31T10:09:16,503 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187 2025-08-31T10:09:16,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229 2025-08-31T10:09:16,507 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229 2025-08-31T10:09:16,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A 2025-08-31T10:09:16,510 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A 2025-08-31T10:09:16,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B 2025-08-31T10:09:16,514 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B 2025-08-31T10:09:16,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152 2025-08-31T10:09:16,517 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152 2025-08-31T10:09:16,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148 2025-08-31T10:09:16,520 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148 2025-08-31T10:09:16,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A 2025-08-31T10:09:16,524 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A 2025-08-31T10:09:16,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B 2025-08-31T10:09:16,527 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B 2025-08-31T10:09:16,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212 2025-08-31T10:09:16,530 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212 2025-08-31T10:09:16,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B 2025-08-31T10:09:16,534 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B 2025-08-31T10:09:16,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B 2025-08-31T10:09:16,537 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B 2025-08-31T10:09:16,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A 2025-08-31T10:09:16,541 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A 2025-08-31T10:09:16,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228 2025-08-31T10:09:16,544 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228 2025-08-31T10:09:16,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144 2025-08-31T10:09:16,548 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144 2025-08-31T10:09:16,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A 2025-08-31T10:09:16,551 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A 2025-08-31T10:09:16,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B 2025-08-31T10:09:16,554 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B 2025-08-31T10:09:16,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A 2025-08-31T10:09:16,558 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A 2025-08-31T10:09:16,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231 2025-08-31T10:09:16,561 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231 2025-08-31T10:09:16,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A 2025-08-31T10:09:16,565 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A 2025-08-31T10:09:16,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A 2025-08-31T10:09:16,568 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A 2025-08-31T10:09:16,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008 2025-08-31T10:09:16,571 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008 2025-08-31T10:09:16,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B 2025-08-31T10:09:16,575 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B 2025-08-31T10:09:16,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B 2025-08-31T10:09:16,578 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B 2025-08-31T10:09:16,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A 2025-08-31T10:09:16,582 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A 2025-08-31T10:09:16,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230 2025-08-31T10:09:16,585 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230 2025-08-31T10:09:16,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A 2025-08-31T10:09:16,588 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A 2025-08-31T10:09:16,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A 2025-08-31T10:09:16,592 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A 2025-08-31T10:09:16,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A 2025-08-31T10:09:16,595 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A 2025-08-31T10:09:16,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B 2025-08-31T10:09:16,598 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B 2025-08-31T10:09:16,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B 2025-08-31T10:09:16,605 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B 2025-08-31T10:09:16,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202 2025-08-31T10:09:16,609 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202 2025-08-31T10:09:16,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213 2025-08-31T10:09:16,612 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213 2025-08-31T10:09:16,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214 2025-08-31T10:09:16,615 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214 2025-08-31T10:09:16,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B 2025-08-31T10:09:16,619 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B 2025-08-31T10:09:16,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18 2025-08-31T10:09:16,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3 2025-08-31T10:09:16,625 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3 2025-08-31T10:09:16,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22 2025-08-31T10:09:16,628 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22 2025-08-31T10:09:16,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3 2025-08-31T10:09:16,632 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3 2025-08-31T10:09:16,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22 2025-08-31T10:09:16,636 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22 2025-08-31T10:09:16,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3 2025-08-31T10:09:16,639 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3 2025-08-31T10:09:16,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2 2025-08-31T10:09:16,643 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2 2025-08-31T10:09:16,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2 2025-08-31T10:09:16,646 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2 2025-08-31T10:09:16,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2 2025-08-31T10:09:16,649 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2 2025-08-31T10:09:16,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2 2025-08-31T10:09:16,653 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2 2025-08-31T10:09:16,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22 2025-08-31T10:09:16,656 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22 2025-08-31T10:09:16,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2 2025-08-31T10:09:16,660 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2 2025-08-31T10:09:16,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s 2025-08-31T10:09:16,663 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s 2025-08-31T10:09:16,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22 2025-08-31T10:09:16,667 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22 2025-08-31T10:09:16,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s 2025-08-31T10:09:16,672 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s 2025-08-31T10:09:16,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2 2025-08-31T10:09:16,676 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2 2025-08-31T10:09:16,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22 2025-08-31T10:09:16,679 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22 2025-08-31T10:09:16,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22 2025-08-31T10:09:16,682 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22 2025-08-31T10:09:16,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3 2025-08-31T10:09:16,686 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3 2025-08-31T10:09:16,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22 2025-08-31T10:09:16,689 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22 2025-08-31T10:09:16,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2 2025-08-31T10:09:16,694 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2 2025-08-31T10:09:16,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2 2025-08-31T10:09:16,698 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2 2025-08-31T10:09:16,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s 2025-08-31T10:09:16,702 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s 2025-08-31T10:09:16,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3 2025-08-31T10:09:16,705 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3 2025-08-31T10:09:16,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22 2025-08-31T10:09:16,709 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22 2025-08-31T10:09:16,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22 2025-08-31T10:09:16,713 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22 2025-08-31T10:09:16,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2 2025-08-31T10:09:16,716 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2 2025-08-31T10:09:16,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3 2025-08-31T10:09:16,720 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3 2025-08-31T10:09:16,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2 2025-08-31T10:09:16,724 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2 2025-08-31T10:09:16,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22 2025-08-31T10:09:16,727 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22 2025-08-31T10:09:16,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11 2025-08-31T10:09:16,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3 2025-08-31T10:09:16,732 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3 2025-08-31T10:09:16,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2 2025-08-31T10:09:16,736 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2 2025-08-31T10:09:16,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh 2025-08-31T10:09:16,739 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh 2025-08-31T10:09:16,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2 2025-08-31T10:09:16,742 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2 2025-08-31T10:09:16,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6 2025-08-31T10:09:16,746 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6 2025-08-31T10:09:16,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2 2025-08-31T10:09:16,749 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2 2025-08-31T10:09:16,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4 2025-08-31T10:09:16,753 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4 2025-08-31T10:09:16,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme 2025-08-31T10:09:16,756 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme 2025-08-31T10:09:16,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2 2025-08-31T10:09:16,760 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2 2025-08-31T10:09:16,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2 2025-08-31T10:09:16,764 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2 2025-08-31T10:09:16,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6 2025-08-31T10:09:16,767 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6 2025-08-31T10:09:16,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3 2025-08-31T10:09:16,770 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3 2025-08-31T10:09:16,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br 2025-08-31T10:09:16,773 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br 2025-08-31T10:09:16,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4 2025-08-31T10:09:16,776 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4 2025-08-31T10:09:16,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl 2025-08-31T10:09:16,781 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl 2025-08-31T10:09:16,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4 2025-08-31T10:09:16,784 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4 2025-08-31T10:09:16,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3 2025-08-31T10:09:16,787 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3 2025-08-31T10:09:16,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6 2025-08-31T10:09:16,791 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6 2025-08-31T10:09:16,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2 2025-08-31T10:09:16,794 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2 2025-08-31T10:09:16,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2 2025-08-31T10:09:16,797 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2 2025-08-31T10:09:16,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2 2025-08-31T10:09:16,801 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2 2025-08-31T10:09:16,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh 2025-08-31T10:09:16,804 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh 2025-08-31T10:09:16,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36 2025-08-31T10:09:16,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1 2025-08-31T10:09:16,809 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1 2025-08-31T10:09:16,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14 2025-08-31T10:09:16,813 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14 2025-08-31T10:09:16,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4 2025-08-31T10:09:16,816 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4 2025-08-31T10:09:16,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16 2025-08-31T10:09:16,820 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16 2025-08-31T10:09:16,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11 2025-08-31T10:09:16,823 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11 2025-08-31T10:09:16,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1 2025-08-31T10:09:16,827 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1 2025-08-31T10:09:16,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7 2025-08-31T10:09:16,830 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7 2025-08-31T10:09:16,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9 2025-08-31T10:09:16,834 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9 2025-08-31T10:09:16,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15 2025-08-31T10:09:16,837 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15 2025-08-31T10:09:16,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9 2025-08-31T10:09:16,840 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9 2025-08-31T10:09:16,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3 2025-08-31T10:09:16,844 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3 2025-08-31T10:09:16,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15 2025-08-31T10:09:16,847 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15 2025-08-31T10:09:16,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13 2025-08-31T10:09:16,850 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13 2025-08-31T10:09:16,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4 2025-08-31T10:09:16,854 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4 2025-08-31T10:09:16,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12 2025-08-31T10:09:16,857 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12 2025-08-31T10:09:16,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8 2025-08-31T10:09:16,861 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8 2025-08-31T10:09:16,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6 2025-08-31T10:09:16,864 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6 2025-08-31T10:09:16,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2 2025-08-31T10:09:16,868 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2 2025-08-31T10:09:16,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4 2025-08-31T10:09:16,871 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4 2025-08-31T10:09:16,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1 2025-08-31T10:09:16,875 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1 2025-08-31T10:09:16,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14 2025-08-31T10:09:16,878 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14 2025-08-31T10:09:16,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10 2025-08-31T10:09:16,882 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10 2025-08-31T10:09:16,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3 2025-08-31T10:09:16,886 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3 2025-08-31T10:09:16,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3 2025-08-31T10:09:16,891 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3 2025-08-31T10:09:16,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13 2025-08-31T10:09:16,897 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13 2025-08-31T10:09:16,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4 2025-08-31T10:09:16,901 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4 2025-08-31T10:09:16,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7 2025-08-31T10:09:16,905 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7 2025-08-31T10:09:16,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5 2025-08-31T10:09:16,909 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5 2025-08-31T10:09:16,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5 2025-08-31T10:09:16,912 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5 2025-08-31T10:09:16,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11 2025-08-31T10:09:16,917 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11 2025-08-31T10:09:16,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8 2025-08-31T10:09:16,922 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8 2025-08-31T10:09:16,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6 2025-08-31T10:09:16,926 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6 2025-08-31T10:09:16,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10 2025-08-31T10:09:16,930 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10 2025-08-31T10:09:16,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2 2025-08-31T10:09:16,934 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2 2025-08-31T10:09:16,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5 2025-08-31T10:09:16,938 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5 2025-08-31T10:09:16,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12 2025-08-31T10:09:16,942 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12 2025-08-31T10:09:16,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6 2025-08-31T10:09:16,946 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6 2025-08-31T10:09:16,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2 2025-08-31T10:09:16,950 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2 2025-08-31T10:09:16,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8 2025-08-31T10:09:16,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8 2025-08-31T10:09:16,957 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8 2025-08-31T10:09:16,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h 2025-08-31T10:09:16,961 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h 2025-08-31T10:09:16,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4 2025-08-31T10:09:16,965 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4 2025-08-31T10:09:16,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+ 2025-08-31T10:09:16,969 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+ 2025-08-31T10:09:16,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4 2025-08-31T10:09:16,973 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4 2025-08-31T10:09:16,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2 2025-08-31T10:09:16,977 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2 2025-08-31T10:09:16,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me 2025-08-31T10:09:16,981 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me 2025-08-31T10:09:16,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2 2025-08-31T10:09:16,985 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2 2025-08-31T10:09:16,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+ 2025-08-31T10:09:16,989 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+ 2025-08-31T10:09:16,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2 2025-08-31T10:09:16,993 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2 2025-08-31T10:09:16,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c 2025-08-31T10:09:16,997 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c 2025-08-31T10:09:17,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2 2025-08-31T10:09:17,001 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2 2025-08-31T10:09:17,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch 2025-08-31T10:09:17,005 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch 2025-08-31T10:09:17,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n 2025-08-31T10:09:17,009 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n 2025-08-31T10:09:17,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2 2025-08-31T10:09:17,013 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2 2025-08-31T10:09:17,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me 2025-08-31T10:09:17,017 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me 2025-08-31T10:09:17,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8 2025-08-31T10:09:17,021 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8 2025-08-31T10:09:17,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18 2025-08-31T10:09:17,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o 2025-08-31T10:09:17,027 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o 2025-08-31T10:09:17,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4 2025-08-31T10:09:17,031 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4 2025-08-31T10:09:17,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1 2025-08-31T10:09:17,035 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1 2025-08-31T10:09:17,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o 2025-08-31T10:09:17,040 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o 2025-08-31T10:09:17,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4 2025-08-31T10:09:17,044 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4 2025-08-31T10:09:17,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o 2025-08-31T10:09:17,048 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o 2025-08-31T10:09:17,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3 2025-08-31T10:09:17,052 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3 2025-08-31T10:09:17,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o 2025-08-31T10:09:17,057 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o 2025-08-31T10:09:17,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o 2025-08-31T10:09:17,060 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o 2025-08-31T10:09:17,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8 2025-08-31T10:09:17,065 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8 2025-08-31T10:09:17,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1 2025-08-31T10:09:17,068 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1 2025-08-31T10:09:17,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9 2025-08-31T10:09:17,072 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9 2025-08-31T10:09:17,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o 2025-08-31T10:09:17,076 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o 2025-08-31T10:09:17,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5 2025-08-31T10:09:17,080 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5 2025-08-31T10:09:17,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2 2025-08-31T10:09:17,084 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2 2025-08-31T10:09:17,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7 2025-08-31T10:09:17,088 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7 2025-08-31T10:09:17,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6 2025-08-31T10:09:17,092 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6 2025-08-31T10:09:17,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o 2025-08-31T10:09:17,096 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o 2025-08-31T10:09:17,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o 2025-08-31T10:09:17,100 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o 2025-08-31T10:09:17,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3 2025-08-31T10:09:17,104 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3 2025-08-31T10:09:17,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o 2025-08-31T10:09:17,108 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o 2025-08-31T10:09:17,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6 2025-08-31T10:09:17,113 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6 2025-08-31T10:09:17,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o 2025-08-31T10:09:17,117 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o 2025-08-31T10:09:17,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2 2025-08-31T10:09:17,121 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2 2025-08-31T10:09:17,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8 2025-08-31T10:09:17,125 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8 2025-08-31T10:09:17,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9 2025-08-31T10:09:17,129 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9 2025-08-31T10:09:17,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5 2025-08-31T10:09:17,133 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5 2025-08-31T10:09:17,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7 2025-08-31T10:09:17,137 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7 2025-08-31T10:09:17,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43 2025-08-31T10:09:17,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02 2025-08-31T10:09:17,144 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02 2025-08-31T10:09:17,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23 2025-08-31T10:09:17,148 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23 2025-08-31T10:09:17,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08 2025-08-31T10:09:17,152 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08 2025-08-31T10:09:17,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2 2025-08-31T10:09:17,156 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2 2025-08-31T10:09:17,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30 2025-08-31T10:09:17,160 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30 2025-08-31T10:09:17,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2 2025-08-31T10:09:17,164 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2 2025-08-31T10:09:17,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29 2025-08-31T10:09:17,167 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29 2025-08-31T10:09:17,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06 2025-08-31T10:09:17,171 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06 2025-08-31T10:09:17,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3 2025-08-31T10:09:17,174 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3 2025-08-31T10:09:17,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2 2025-08-31T10:09:17,178 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2 2025-08-31T10:09:17,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42 2025-08-31T10:09:17,181 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42 2025-08-31T10:09:17,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10 2025-08-31T10:09:17,185 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10 2025-08-31T10:09:17,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34 2025-08-31T10:09:17,188 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34 2025-08-31T10:09:17,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2 2025-08-31T10:09:17,192 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2 2025-08-31T10:09:17,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22 2025-08-31T10:09:17,196 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22 2025-08-31T10:09:17,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18 2025-08-31T10:09:17,199 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18 2025-08-31T10:09:17,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16 2025-08-31T10:09:17,202 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16 2025-08-31T10:09:17,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04 2025-08-31T10:09:17,206 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04 2025-08-31T10:09:17,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37 2025-08-31T10:09:17,209 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37 2025-08-31T10:09:17,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40 2025-08-31T10:09:17,213 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40 2025-08-31T10:09:17,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09 2025-08-31T10:09:17,216 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09 2025-08-31T10:09:17,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28 2025-08-31T10:09:17,219 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28 2025-08-31T10:09:17,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36 2025-08-31T10:09:17,223 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36 2025-08-31T10:09:17,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21 2025-08-31T10:09:17,227 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21 2025-08-31T10:09:17,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13 2025-08-31T10:09:17,230 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13 2025-08-31T10:09:17,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4 2025-08-31T10:09:17,234 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4 2025-08-31T10:09:17,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25 2025-08-31T10:09:17,237 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25 2025-08-31T10:09:17,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32 2025-08-31T10:09:17,240 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32 2025-08-31T10:09:17,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41 2025-08-31T10:09:17,244 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41 2025-08-31T10:09:17,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14 2025-08-31T10:09:17,247 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14 2025-08-31T10:09:17,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15 2025-08-31T10:09:17,251 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15 2025-08-31T10:09:17,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2 2025-08-31T10:09:17,254 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2 2025-08-31T10:09:17,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38 2025-08-31T10:09:17,258 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38 2025-08-31T10:09:17,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24 2025-08-31T10:09:17,261 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24 2025-08-31T10:09:17,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19 2025-08-31T10:09:17,265 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19 2025-08-31T10:09:17,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01 2025-08-31T10:09:17,268 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01 2025-08-31T10:09:17,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2 2025-08-31T10:09:17,272 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2 2025-08-31T10:09:17,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31 2025-08-31T10:09:17,275 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31 2025-08-31T10:09:17,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4 2025-08-31T10:09:17,279 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4 2025-08-31T10:09:17,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26 2025-08-31T10:09:17,282 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26 2025-08-31T10:09:17,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03 2025-08-31T10:09:17,285 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03 2025-08-31T10:09:17,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20 2025-08-31T10:09:17,288 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20 2025-08-31T10:09:17,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43 2025-08-31T10:09:17,292 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43 2025-08-31T10:09:17,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH 2025-08-31T10:09:17,296 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH 2025-08-31T10:09:17,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33 2025-08-31T10:09:17,299 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33 2025-08-31T10:09:17,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12 2025-08-31T10:09:17,303 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12 2025-08-31T10:09:17,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17 2025-08-31T10:09:17,306 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17 2025-08-31T10:09:17,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH 2025-08-31T10:09:17,309 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH 2025-08-31T10:09:17,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35 2025-08-31T10:09:17,316 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35 2025-08-31T10:09:17,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2 2025-08-31T10:09:17,320 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2 2025-08-31T10:09:17,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39 2025-08-31T10:09:17,323 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39 2025-08-31T10:09:17,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2 2025-08-31T10:09:17,326 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2 2025-08-31T10:09:17,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05 2025-08-31T10:09:17,330 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05 2025-08-31T10:09:17,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3 2025-08-31T10:09:17,333 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3 2025-08-31T10:09:17,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2 2025-08-31T10:09:17,336 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2 2025-08-31T10:09:17,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07 2025-08-31T10:09:17,340 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07 2025-08-31T10:09:17,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11 2025-08-31T10:09:17,343 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11 2025-08-31T10:09:17,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27 2025-08-31T10:09:17,347 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27 2025-08-31T10:09:17,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18 2025-08-31T10:09:17,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3 2025-08-31T10:09:17,352 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3 2025-08-31T10:09:17,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar 2025-08-31T10:09:17,355 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar 2025-08-31T10:09:17,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2 2025-08-31T10:09:17,359 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2 2025-08-31T10:09:17,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr 2025-08-31T10:09:17,362 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr 2025-08-31T10:09:17,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr 2025-08-31T10:09:17,366 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr 2025-08-31T10:09:17,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2 2025-08-31T10:09:17,369 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2 2025-08-31T10:09:17,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar 2025-08-31T10:09:17,372 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar 2025-08-31T10:09:17,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2 2025-08-31T10:09:17,376 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2 2025-08-31T10:09:17,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf 2025-08-31T10:09:17,379 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf 2025-08-31T10:09:17,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne 2025-08-31T10:09:17,382 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne 2025-08-31T10:09:17,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3 2025-08-31T10:09:17,386 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3 2025-08-31T10:09:17,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr 2025-08-31T10:09:17,390 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr 2025-08-31T10:09:17,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne 2025-08-31T10:09:17,394 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne 2025-08-31T10:09:17,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4 2025-08-31T10:09:17,398 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4 2025-08-31T10:09:17,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz 2025-08-31T10:09:17,402 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz 2025-08-31T10:09:17,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4 2025-08-31T10:09:17,405 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4 2025-08-31T10:09:17,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe 2025-08-31T10:09:17,409 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe 2025-08-31T10:09:17,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2 2025-08-31T10:09:17,627 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2 2025-08-31T10:09:17,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6 2025-08-31T10:09:17,633 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6 2025-08-31T10:09:17,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe 2025-08-31T10:09:17,639 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe 2025-08-31T10:09:17,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3 2025-08-31T10:09:17,645 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3 2025-08-31T10:09:17,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr 2025-08-31T10:09:17,651 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr 2025-08-31T10:09:17,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6 2025-08-31T10:09:17,657 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6 2025-08-31T10:09:17,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne 2025-08-31T10:09:17,661 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne 2025-08-31T10:09:17,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar 2025-08-31T10:09:17,666 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar 2025-08-31T10:09:17,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28 2025-08-31T10:09:17,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr 2025-08-31T10:09:17,674 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr 2025-08-31T10:09:17,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4 2025-08-31T10:09:17,679 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4 2025-08-31T10:09:17,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3 2025-08-31T10:09:17,684 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3 2025-08-31T10:09:17,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o 2025-08-31T10:09:17,689 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o 2025-08-31T10:09:17,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3 2025-08-31T10:09:17,694 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3 2025-08-31T10:09:17,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2 2025-08-31T10:09:17,698 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2 2025-08-31T10:09:17,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl 2025-08-31T10:09:17,703 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl 2025-08-31T10:09:17,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o 2025-08-31T10:09:17,708 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o 2025-08-31T10:09:17,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi 2025-08-31T10:09:17,713 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi 2025-08-31T10:09:17,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3 2025-08-31T10:09:17,718 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3 2025-08-31T10:09:17,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3 2025-08-31T10:09:17,723 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3 2025-08-31T10:09:17,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi 2025-08-31T10:09:17,728 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi 2025-08-31T10:09:17,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o 2025-08-31T10:09:17,733 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o 2025-08-31T10:09:17,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr 2025-08-31T10:09:17,738 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr 2025-08-31T10:09:17,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2 2025-08-31T10:09:17,742 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2 2025-08-31T10:09:17,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi 2025-08-31T10:09:17,747 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi 2025-08-31T10:09:17,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s 2025-08-31T10:09:17,753 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s 2025-08-31T10:09:17,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s 2025-08-31T10:09:17,757 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s 2025-08-31T10:09:17,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr 2025-08-31T10:09:17,760 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr 2025-08-31T10:09:17,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr 2025-08-31T10:09:17,763 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr 2025-08-31T10:09:17,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2 2025-08-31T10:09:17,767 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2 2025-08-31T10:09:17,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi 2025-08-31T10:09:17,770 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi 2025-08-31T10:09:17,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl 2025-08-31T10:09:17,773 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl 2025-08-31T10:09:17,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s 2025-08-31T10:09:17,777 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s 2025-08-31T10:09:17,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3 2025-08-31T10:09:17,780 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3 2025-08-31T10:09:17,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2 2025-08-31T10:09:17,784 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2 2025-08-31T10:09:17,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2 2025-08-31T10:09:17,787 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2 2025-08-31T10:09:17,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3 2025-08-31T10:09:17,791 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3 2025-08-31T10:09:17,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl 2025-08-31T10:09:17,794 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl 2025-08-31T10:09:17,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi 2025-08-31T10:09:17,797 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi 2025-08-31T10:09:17,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr 2025-08-31T10:09:17,801 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr 2025-08-31T10:09:17,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o 2025-08-31T10:09:17,804 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o 2025-08-31T10:09:17,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o 2025-08-31T10:09:17,808 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o 2025-08-31T10:09:17,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s 2025-08-31T10:09:17,812 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s 2025-08-31T10:09:17,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl 2025-08-31T10:09:17,815 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl 2025-08-31T10:09:17,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl 2025-08-31T10:09:17,819 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl 2025-08-31T10:09:17,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3 2025-08-31T10:09:17,822 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3 2025-08-31T10:09:17,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2 2025-08-31T10:09:17,826 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2 2025-08-31T10:09:17,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF 2025-08-31T10:09:17,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3 2025-08-31T10:09:17,831 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3 2025-08-31T10:09:17,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2 2025-08-31T10:09:17,835 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2 2025-08-31T10:09:17,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2 2025-08-31T10:09:17,840 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2 2025-08-31T10:09:17,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1 2025-08-31T10:09:17,844 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1 2025-08-31T10:09:17,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1 2025-08-31T10:09:17,847 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1 2025-08-31T10:09:17,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1 2025-08-31T10:09:17,851 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1 2025-08-31T10:09:17,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3 2025-08-31T10:09:17,855 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3 2025-08-31T10:09:17,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1 2025-08-31T10:09:17,858 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1 2025-08-31T10:09:17,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2 2025-08-31T10:09:17,862 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2 2025-08-31T10:09:17,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3 2025-08-31T10:09:17,865 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3 2025-08-31T10:09:17,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2 2025-08-31T10:09:17,869 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2 2025-08-31T10:09:17,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2 2025-08-31T10:09:17,872 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2 2025-08-31T10:09:17,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2 2025-08-31T10:09:17,875 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2 2025-08-31T10:09:17,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4 2025-08-31T10:09:17,879 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4 2025-08-31T10:09:17,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1 2025-08-31T10:09:17,882 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1 2025-08-31T10:09:17,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2 2025-08-31T10:09:17,886 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2 2025-08-31T10:09:17,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2 2025-08-31T10:09:17,890 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2 2025-08-31T10:09:17,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3 2025-08-31T10:09:17,894 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3 2025-08-31T10:09:17,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1 2025-08-31T10:09:17,897 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1 2025-08-31T10:09:17,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4 2025-08-31T10:09:17,901 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4 2025-08-31T10:09:17,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1 2025-08-31T10:09:17,905 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1 2025-08-31T10:09:17,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1 2025-08-31T10:09:17,908 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1 2025-08-31T10:09:17,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3 2025-08-31T10:09:17,912 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3 2025-08-31T10:09:17,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2 2025-08-31T10:09:17,915 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2 2025-08-31T10:09:17,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2 2025-08-31T10:09:17,919 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2 2025-08-31T10:09:17,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1 2025-08-31T10:09:17,923 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1 2025-08-31T10:09:17,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1 2025-08-31T10:09:17,926 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1 2025-08-31T10:09:17,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24 2025-08-31T10:09:17,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p 2025-08-31T10:09:17,931 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p 2025-08-31T10:09:17,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e 2025-08-31T10:09:17,935 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e 2025-08-31T10:09:17,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e 2025-08-31T10:09:17,938 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e 2025-08-31T10:09:17,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p 2025-08-31T10:09:17,942 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p 2025-08-31T10:09:17,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e 2025-08-31T10:09:17,945 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e 2025-08-31T10:09:17,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p 2025-08-31T10:09:17,949 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p 2025-08-31T10:09:17,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e 2025-08-31T10:09:17,953 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e 2025-08-31T10:09:17,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e 2025-08-31T10:09:17,956 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e 2025-08-31T10:09:17,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p 2025-08-31T10:09:17,960 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p 2025-08-31T10:09:17,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e 2025-08-31T10:09:17,963 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e 2025-08-31T10:09:17,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p 2025-08-31T10:09:17,967 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p 2025-08-31T10:09:17,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p 2025-08-31T10:09:17,970 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p 2025-08-31T10:09:17,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p 2025-08-31T10:09:17,974 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p 2025-08-31T10:09:17,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e 2025-08-31T10:09:17,977 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e 2025-08-31T10:09:17,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e 2025-08-31T10:09:17,981 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e 2025-08-31T10:09:17,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p 2025-08-31T10:09:17,984 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p 2025-08-31T10:09:17,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e 2025-08-31T10:09:17,988 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e 2025-08-31T10:09:17,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p 2025-08-31T10:09:17,991 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p 2025-08-31T10:09:17,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e 2025-08-31T10:09:17,995 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e 2025-08-31T10:09:17,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e 2025-08-31T10:09:17,998 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e 2025-08-31T10:09:18,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e 2025-08-31T10:09:18,002 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e 2025-08-31T10:09:18,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e 2025-08-31T10:09:18,006 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e 2025-08-31T10:09:18,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e 2025-08-31T10:09:18,009 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e 2025-08-31T10:09:18,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e 2025-08-31T10:09:18,013 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e 2025-08-31T10:09:18,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e 2025-08-31T10:09:18,016 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e 2025-08-31T10:09:18,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p 2025-08-31T10:09:18,020 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p 2025-08-31T10:09:18,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e 2025-08-31T10:09:18,023 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e 2025-08-31T10:09:18,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p 2025-08-31T10:09:18,027 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p 2025-08-31T10:09:18,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p 2025-08-31T10:09:18,031 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p 2025-08-31T10:09:18,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p 2025-08-31T10:09:18,034 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p 2025-08-31T10:09:18,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e 2025-08-31T10:09:18,038 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e 2025-08-31T10:09:18,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p 2025-08-31T10:09:18,041 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p 2025-08-31T10:09:18,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p 2025-08-31T10:09:18,045 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p 2025-08-31T10:09:18,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p 2025-08-31T10:09:18,048 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p 2025-08-31T10:09:18,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e 2025-08-31T10:09:18,052 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e 2025-08-31T10:09:18,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p 2025-08-31T10:09:18,056 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p 2025-08-31T10:09:18,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e 2025-08-31T10:09:18,059 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e 2025-08-31T10:09:18,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p 2025-08-31T10:09:18,063 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p 2025-08-31T10:09:18,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p 2025-08-31T10:09:18,066 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p 2025-08-31T10:09:18,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p 2025-08-31T10:09:18,070 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p 2025-08-31T10:09:18,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p 2025-08-31T10:09:18,073 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p 2025-08-31T10:09:18,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e 2025-08-31T10:09:18,077 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e 2025-08-31T10:09:18,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p 2025-08-31T10:09:18,080 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p 2025-08-31T10:09:18,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e 2025-08-31T10:09:18,084 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e 2025-08-31T10:09:18,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p 2025-08-31T10:09:18,087 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p 2025-08-31T10:09:18,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p 2025-08-31T10:09:18,091 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p 2025-08-31T10:09:18,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e 2025-08-31T10:09:18,095 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e 2025-08-31T10:09:18,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e 2025-08-31T10:09:18,099 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e 2025-08-31T10:09:18,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6 2025-08-31T10:09:18,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23 2025-08-31T10:09:18,104 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23 2025-08-31T10:09:18,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A 2025-08-31T10:09:18,107 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A 2025-08-31T10:09:18,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A 2025-08-31T10:09:18,111 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A 2025-08-31T10:09:18,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22 2025-08-31T10:09:18,114 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22 2025-08-31T10:09:18,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A 2025-08-31T10:09:18,118 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A 2025-08-31T10:09:18,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B 2025-08-31T10:09:18,121 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B 2025-08-31T10:09:18,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25 2025-08-31T10:09:18,125 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25 2025-08-31T10:09:18,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A 2025-08-31T10:09:18,128 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A 2025-08-31T10:09:18,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24 2025-08-31T10:09:18,132 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24 2025-08-31T10:09:18,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B 2025-08-31T10:09:18,135 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B 2025-08-31T10:09:18,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26 2025-08-31T10:09:18,139 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26 2025-08-31T10:09:18,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A 2025-08-31T10:09:18,143 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A 2025-08-31T10:09:18,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B 2025-08-31T10:09:18,152 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B 2025-08-31T10:09:18,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B 2025-08-31T10:09:18,156 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B 2025-08-31T10:09:18,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A 2025-08-31T10:09:18,159 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A 2025-08-31T10:09:18,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B 2025-08-31T10:09:18,162 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B 2025-08-31T10:09:18,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B 2025-08-31T10:09:18,165 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B 2025-08-31T10:09:18,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27 2025-08-31T10:09:18,169 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27 2025-08-31T10:09:18,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC 2025-08-31T10:09:18,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F 2025-08-31T10:09:18,174 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F 2025-08-31T10:09:18,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3 2025-08-31T10:09:18,178 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3 2025-08-31T10:09:18,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H 2025-08-31T10:09:18,181 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H 2025-08-31T10:09:18,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3 2025-08-31T10:09:18,185 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3 2025-08-31T10:09:18,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3 2025-08-31T10:09:18,189 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3 2025-08-31T10:09:18,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2 2025-08-31T10:09:18,192 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2 2025-08-31T10:09:18,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2 2025-08-31T10:09:18,196 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2 2025-08-31T10:09:18,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz 2025-08-31T10:09:18,199 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz 2025-08-31T10:09:18,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3 2025-08-31T10:09:18,203 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3 2025-08-31T10:09:18,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut 2025-08-31T10:09:18,206 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut 2025-08-31T10:09:18,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3 2025-08-31T10:09:18,210 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3 2025-08-31T10:09:18,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3 2025-08-31T10:09:18,213 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3 2025-08-31T10:09:18,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch 2025-08-31T10:09:18,217 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch 2025-08-31T10:09:18,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3 2025-08-31T10:09:18,220 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3 2025-08-31T10:09:18,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh 2025-08-31T10:09:18,224 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh 2025-08-31T10:09:18,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3 2025-08-31T10:09:18,227 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3 2025-08-31T10:09:18,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl 2025-08-31T10:09:18,231 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl 2025-08-31T10:09:18,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3 2025-08-31T10:09:18,234 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3 2025-08-31T10:09:18,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3 2025-08-31T10:09:18,238 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3 2025-08-31T10:09:18,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3 2025-08-31T10:09:18,241 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3 2025-08-31T10:09:18,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2 2025-08-31T10:09:18,244 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2 2025-08-31T10:09:18,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4 2025-08-31T10:09:18,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5 2025-08-31T10:09:18,249 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5 2025-08-31T10:09:18,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he 2025-08-31T10:09:18,253 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he 2025-08-31T10:09:18,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75 2025-08-31T10:09:18,256 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75 2025-08-31T10:09:18,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75 2025-08-31T10:09:18,259 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75 2025-08-31T10:09:18,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0 2025-08-31T10:09:18,263 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0 2025-08-31T10:09:18,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o 2025-08-31T10:09:18,267 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o 2025-08-31T10:09:18,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3 2025-08-31T10:09:18,270 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3 2025-08-31T10:09:18,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0 2025-08-31T10:09:18,273 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0 2025-08-31T10:09:18,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75 2025-08-31T10:09:18,277 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75 2025-08-31T10:09:18,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0 2025-08-31T10:09:18,280 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0 2025-08-31T10:09:18,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+ 2025-08-31T10:09:18,283 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+ 2025-08-31T10:09:18,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25 2025-08-31T10:09:18,287 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25 2025-08-31T10:09:18,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5 2025-08-31T10:09:18,290 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5 2025-08-31T10:09:18,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25 2025-08-31T10:09:18,293 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25 2025-08-31T10:09:18,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25 2025-08-31T10:09:18,297 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25 2025-08-31T10:09:18,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0 2025-08-31T10:09:18,300 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0 2025-08-31T10:09:18,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h 2025-08-31T10:09:18,304 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h 2025-08-31T10:09:18,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+ 2025-08-31T10:09:18,307 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+ 2025-08-31T10:09:18,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5 2025-08-31T10:09:18,310 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5 2025-08-31T10:09:18,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25 2025-08-31T10:09:18,314 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25 2025-08-31T10:09:18,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5 2025-08-31T10:09:18,318 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5 2025-08-31T10:09:18,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75 2025-08-31T10:09:18,321 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75 2025-08-31T10:09:18,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+ 2025-08-31T10:09:18,325 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+ 2025-08-31T10:09:18,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23 2025-08-31T10:09:18,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p 2025-08-31T10:09:18,330 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p 2025-08-31T10:09:18,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m 2025-08-31T10:09:18,333 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m 2025-08-31T10:09:18,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a 2025-08-31T10:09:18,336 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a 2025-08-31T10:09:18,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z 2025-08-31T10:09:18,340 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z 2025-08-31T10:09:18,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b 2025-08-31T10:09:18,343 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b 2025-08-31T10:09:18,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e 2025-08-31T10:09:18,347 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e 2025-08-31T10:09:18,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a 2025-08-31T10:09:18,350 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a 2025-08-31T10:09:18,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h 2025-08-31T10:09:18,354 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h 2025-08-31T10:09:18,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a 2025-08-31T10:09:18,357 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a 2025-08-31T10:09:18,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a 2025-08-31T10:09:18,361 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a 2025-08-31T10:09:18,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d 2025-08-31T10:09:18,365 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d 2025-08-31T10:09:18,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g 2025-08-31T10:09:18,368 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g 2025-08-31T10:09:18,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p 2025-08-31T10:09:18,371 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p 2025-08-31T10:09:18,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a 2025-08-31T10:09:18,375 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a 2025-08-31T10:09:18,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a 2025-08-31T10:09:18,378 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a 2025-08-31T10:09:18,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f 2025-08-31T10:09:18,382 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f 2025-08-31T10:09:18,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b 2025-08-31T10:09:18,385 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b 2025-08-31T10:09:18,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p 2025-08-31T10:09:18,389 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p 2025-08-31T10:09:18,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c 2025-08-31T10:09:18,392 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c 2025-08-31T10:09:18,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b 2025-08-31T10:09:18,396 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b 2025-08-31T10:09:18,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d 2025-08-31T10:09:18,399 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d 2025-08-31T10:09:18,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p 2025-08-31T10:09:18,403 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p 2025-08-31T10:09:18,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b 2025-08-31T10:09:18,407 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b 2025-08-31T10:09:18,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa 2025-08-31T10:09:18,411 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa 2025-08-31T10:09:18,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO 2025-08-31T10:09:18,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4 2025-08-31T10:09:18,416 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4 2025-08-31T10:09:18,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8 2025-08-31T10:09:18,420 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8 2025-08-31T10:09:18,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3 2025-08-31T10:09:18,423 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3 2025-08-31T10:09:18,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10 2025-08-31T10:09:18,427 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10 2025-08-31T10:09:18,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7 2025-08-31T10:09:18,431 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7 2025-08-31T10:09:18,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6 2025-08-31T10:09:18,434 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6 2025-08-31T10:09:18,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1 2025-08-31T10:09:18,438 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1 2025-08-31T10:09:18,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2 2025-08-31T10:09:18,441 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2 2025-08-31T10:09:18,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5 2025-08-31T10:09:18,445 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5 2025-08-31T10:09:18,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9 2025-08-31T10:09:18,449 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9 2025-08-31T10:09:18,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15 2025-08-31T10:09:18,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a 2025-08-31T10:09:18,454 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a 2025-08-31T10:09:18,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b 2025-08-31T10:09:18,458 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b 2025-08-31T10:09:18,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a 2025-08-31T10:09:18,461 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a 2025-08-31T10:09:18,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a 2025-08-31T10:09:18,465 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a 2025-08-31T10:09:18,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b 2025-08-31T10:09:18,468 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b 2025-08-31T10:09:18,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b 2025-08-31T10:09:18,472 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b 2025-08-31T10:09:18,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b 2025-08-31T10:09:18,475 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b 2025-08-31T10:09:18,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a 2025-08-31T10:09:18,478 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a 2025-08-31T10:09:18,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a 2025-08-31T10:09:18,482 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a 2025-08-31T10:09:18,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a 2025-08-31T10:09:18,485 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a 2025-08-31T10:09:18,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c 2025-08-31T10:09:18,488 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c 2025-08-31T10:09:18,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d 2025-08-31T10:09:18,492 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d 2025-08-31T10:09:18,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d 2025-08-31T10:09:18,495 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d 2025-08-31T10:09:18,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a 2025-08-31T10:09:18,499 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a 2025-08-31T10:09:18,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a 2025-08-31T10:09:18,502 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a 2025-08-31T10:09:18,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a 2025-08-31T10:09:18,506 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a 2025-08-31T10:09:18,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b 2025-08-31T10:09:18,509 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b 2025-08-31T10:09:18,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b 2025-08-31T10:09:18,512 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b 2025-08-31T10:09:18,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b 2025-08-31T10:09:18,515 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b 2025-08-31T10:09:18,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a 2025-08-31T10:09:18,519 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a 2025-08-31T10:09:18,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b 2025-08-31T10:09:18,522 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b 2025-08-31T10:09:18,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c 2025-08-31T10:09:18,526 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c 2025-08-31T10:09:18,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b 2025-08-31T10:09:18,529 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b 2025-08-31T10:09:18,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b 2025-08-31T10:09:18,532 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b 2025-08-31T10:09:18,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c 2025-08-31T10:09:18,535 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c 2025-08-31T10:09:18,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51 2025-08-31T10:09:18,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2 2025-08-31T10:09:18,542 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2 2025-08-31T10:09:18,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene 2025-08-31T10:09:18,545 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene 2025-08-31T10:09:18,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11 2025-08-31T10:09:18,548 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11 2025-08-31T10:09:18,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S 2025-08-31T10:09:18,551 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S 2025-08-31T10:09:18,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H 2025-08-31T10:09:18,555 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H 2025-08-31T10:09:18,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane 2025-08-31T10:09:18,558 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane 2025-08-31T10:09:18,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane 2025-08-31T10:09:18,561 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane 2025-08-31T10:09:18,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole 2025-08-31T10:09:18,565 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole 2025-08-31T10:09:18,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H 2025-08-31T10:09:18,568 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H 2025-08-31T10:09:18,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3 2025-08-31T10:09:18,571 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3 2025-08-31T10:09:18,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2 2025-08-31T10:09:18,575 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2 2025-08-31T10:09:18,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol 2025-08-31T10:09:18,578 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol 2025-08-31T10:09:18,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole 2025-08-31T10:09:18,581 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole 2025-08-31T10:09:18,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2 2025-08-31T10:09:18,585 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2 2025-08-31T10:09:18,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene 2025-08-31T10:09:18,588 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene 2025-08-31T10:09:18,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole 2025-08-31T10:09:18,591 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole 2025-08-31T10:09:18,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH 2025-08-31T10:09:18,595 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH 2025-08-31T10:09:18,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine 2025-08-31T10:09:18,598 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine 2025-08-31T10:09:18,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene 2025-08-31T10:09:18,601 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene 2025-08-31T10:09:18,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2 2025-08-31T10:09:18,605 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2 2025-08-31T10:09:18,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane 2025-08-31T10:09:18,608 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane 2025-08-31T10:09:18,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene 2025-08-31T10:09:18,612 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene 2025-08-31T10:09:18,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO 2025-08-31T10:09:18,615 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO 2025-08-31T10:09:18,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane 2025-08-31T10:09:18,618 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane 2025-08-31T10:09:18,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2 2025-08-31T10:09:18,622 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2 2025-08-31T10:09:18,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2 2025-08-31T10:09:18,625 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2 2025-08-31T10:09:18,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran 2025-08-31T10:09:18,628 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran 2025-08-31T10:09:18,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN 2025-08-31T10:09:18,631 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN 2025-08-31T10:09:18,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane 2025-08-31T10:09:18,634 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane 2025-08-31T10:09:18,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2 2025-08-31T10:09:18,638 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2 2025-08-31T10:09:18,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole 2025-08-31T10:09:18,641 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole 2025-08-31T10:09:18,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene 2025-08-31T10:09:18,645 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene 2025-08-31T10:09:18,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2 2025-08-31T10:09:18,648 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2 2025-08-31T10:09:18,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO 2025-08-31T10:09:18,652 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO 2025-08-31T10:09:18,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol 2025-08-31T10:09:18,655 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol 2025-08-31T10:09:18,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene 2025-08-31T10:09:18,658 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene 2025-08-31T10:09:18,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2 2025-08-31T10:09:18,662 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2 2025-08-31T10:09:18,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3 2025-08-31T10:09:18,665 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3 2025-08-31T10:09:18,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone 2025-08-31T10:09:18,670 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone 2025-08-31T10:09:18,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone 2025-08-31T10:09:18,673 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone 2025-08-31T10:09:18,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2 2025-08-31T10:09:18,677 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2 2025-08-31T10:09:18,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne 2025-08-31T10:09:18,682 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne 2025-08-31T10:09:18,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane 2025-08-31T10:09:18,684 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane 2025-08-31T10:09:18,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H 2025-08-31T10:09:18,688 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H 2025-08-31T10:09:18,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine 2025-08-31T10:09:18,691 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine 2025-08-31T10:09:18,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2 2025-08-31T10:09:18,695 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2 2025-08-31T10:09:18,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2 2025-08-31T10:09:18,698 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2 2025-08-31T10:09:18,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2 2025-08-31T10:09:18,702 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2 2025-08-31T10:09:18,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2 2025-08-31T10:09:18,705 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2 2025-08-31T10:09:18,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene 2025-08-31T10:09:18,708 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene 2025-08-31T10:09:18,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO 2025-08-31T10:09:18,712 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO 2025-08-31T10:09:18,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2 2025-08-31T10:09:18,715 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2 2025-08-31T10:09:18,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne 2025-08-31T10:09:18,719 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne 2025-08-31T10:09:18,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane 2025-08-31T10:09:18,722 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane 2025-08-31T10:09:18,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3 2025-08-31T10:09:18,726 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3 2025-08-31T10:09:18,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2 2025-08-31T10:09:18,729 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2 2025-08-31T10:09:18,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne 2025-08-31T10:09:18,732 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne 2025-08-31T10:09:18,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO 2025-08-31T10:09:18,735 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO 2025-08-31T10:09:18,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O 2025-08-31T10:09:18,739 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O 2025-08-31T10:09:18,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane 2025-08-31T10:09:18,742 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane 2025-08-31T10:09:18,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2 2025-08-31T10:09:18,746 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2 2025-08-31T10:09:18,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2025-08-31T10:09:18,749 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2025-08-31T10:09:18,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3 2025-08-31T10:09:18,752 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3 2025-08-31T10:09:18,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene 2025-08-31T10:09:18,756 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene 2025-08-31T10:09:18,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane 2025-08-31T10:09:18,759 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane 2025-08-31T10:09:18,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne 2025-08-31T10:09:18,762 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne 2025-08-31T10:09:18,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol 2025-08-31T10:09:18,766 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol 2025-08-31T10:09:18,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane 2025-08-31T10:09:18,769 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane 2025-08-31T10:09:18,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H 2025-08-31T10:09:18,773 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H 2025-08-31T10:09:18,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione 2025-08-31T10:09:18,776 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione 2025-08-31T10:09:18,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H 2025-08-31T10:09:18,779 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H 2025-08-31T10:09:18,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene 2025-08-31T10:09:18,783 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene 2025-08-31T10:09:18,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN 2025-08-31T10:09:18,786 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN 2025-08-31T10:09:18,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran 2025-08-31T10:09:18,790 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran 2025-08-31T10:09:18,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene 2025-08-31T10:09:18,793 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene 2025-08-31T10:09:18,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO 2025-08-31T10:09:18,796 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO 2025-08-31T10:09:18,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl 2025-08-31T10:09:18,799 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl 2025-08-31T10:09:18,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3 2025-08-31T10:09:18,803 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3 2025-08-31T10:09:18,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene 2025-08-31T10:09:18,806 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene 2025-08-31T10:09:18,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene 2025-08-31T10:09:18,809 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene 2025-08-31T10:09:18,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO 2025-08-31T10:09:18,813 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO 2025-08-31T10:09:18,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2 2025-08-31T10:09:18,816 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2 2025-08-31T10:09:18,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2 2025-08-31T10:09:18,819 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2 2025-08-31T10:09:18,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O 2025-08-31T10:09:18,823 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O 2025-08-31T10:09:18,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol 2025-08-31T10:09:18,826 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol 2025-08-31T10:09:18,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2025-08-31T10:09:18,829 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2025-08-31T10:09:18,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO 2025-08-31T10:09:18,833 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO 2025-08-31T10:09:18,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43 2025-08-31T10:09:18,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5 2025-08-31T10:09:18,839 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5 2025-08-31T10:09:18,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29 2025-08-31T10:09:18,842 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29 2025-08-31T10:09:18,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45 2025-08-31T10:09:18,845 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45 2025-08-31T10:09:18,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1 2025-08-31T10:09:18,849 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1 2025-08-31T10:09:18,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13 2025-08-31T10:09:18,852 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13 2025-08-31T10:09:18,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35 2025-08-31T10:09:18,855 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35 2025-08-31T10:09:18,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40 2025-08-31T10:09:18,859 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40 2025-08-31T10:09:18,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17 2025-08-31T10:09:18,862 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17 2025-08-31T10:09:18,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18 2025-08-31T10:09:18,865 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18 2025-08-31T10:09:18,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17 2025-08-31T10:09:18,869 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17 2025-08-31T10:09:18,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36 2025-08-31T10:09:18,872 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36 2025-08-31T10:09:18,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15 2025-08-31T10:09:18,875 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15 2025-08-31T10:09:18,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32 2025-08-31T10:09:18,878 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32 2025-08-31T10:09:18,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42 2025-08-31T10:09:18,882 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42 2025-08-31T10:09:18,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12 2025-08-31T10:09:18,885 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12 2025-08-31T10:09:18,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40 2025-08-31T10:09:18,888 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40 2025-08-31T10:09:18,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5 2025-08-31T10:09:18,892 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5 2025-08-31T10:09:18,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6 2025-08-31T10:09:18,895 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6 2025-08-31T10:09:18,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28 2025-08-31T10:09:18,898 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28 2025-08-31T10:09:18,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36 2025-08-31T10:09:18,902 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36 2025-08-31T10:09:18,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22 2025-08-31T10:09:18,905 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22 2025-08-31T10:09:18,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33 2025-08-31T10:09:18,908 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33 2025-08-31T10:09:18,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44 2025-08-31T10:09:18,911 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44 2025-08-31T10:09:18,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18 2025-08-31T10:09:18,915 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18 2025-08-31T10:09:18,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7 2025-08-31T10:09:18,918 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7 2025-08-31T10:09:18,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20 2025-08-31T10:09:18,921 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20 2025-08-31T10:09:18,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25 2025-08-31T10:09:18,924 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25 2025-08-31T10:09:18,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23 2025-08-31T10:09:18,928 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23 2025-08-31T10:09:18,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8 2025-08-31T10:09:18,931 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8 2025-08-31T10:09:18,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3 2025-08-31T10:09:18,935 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3 2025-08-31T10:09:18,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4 2025-08-31T10:09:18,938 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4 2025-08-31T10:09:18,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7 2025-08-31T10:09:18,941 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7 2025-08-31T10:09:18,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19 2025-08-31T10:09:18,945 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19 2025-08-31T10:09:18,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27 2025-08-31T10:09:18,948 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27 2025-08-31T10:09:18,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30 2025-08-31T10:09:18,951 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30 2025-08-31T10:09:18,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33 2025-08-31T10:09:18,955 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33 2025-08-31T10:09:18,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9 2025-08-31T10:09:18,958 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9 2025-08-31T10:09:18,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27 2025-08-31T10:09:18,961 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27 2025-08-31T10:09:18,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43 2025-08-31T10:09:18,964 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43 2025-08-31T10:09:18,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25 2025-08-31T10:09:18,967 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25 2025-08-31T10:09:18,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16 2025-08-31T10:09:18,971 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16 2025-08-31T10:09:18,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21 2025-08-31T10:09:18,974 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21 2025-08-31T10:09:18,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12 2025-08-31T10:09:18,977 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12 2025-08-31T10:09:18,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43 2025-08-31T10:09:18,981 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43 2025-08-31T10:09:18,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6 2025-08-31T10:09:18,984 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6 2025-08-31T10:09:18,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39 2025-08-31T10:09:18,987 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39 2025-08-31T10:09:18,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31 2025-08-31T10:09:18,991 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31 2025-08-31T10:09:18,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4 2025-08-31T10:09:18,994 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4 2025-08-31T10:09:18,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16 2025-08-31T10:09:18,997 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16 2025-08-31T10:09:18,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2 2025-08-31T10:09:19,000 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2 2025-08-31T10:09:19,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20 2025-08-31T10:09:19,004 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20 2025-08-31T10:09:19,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35 2025-08-31T10:09:19,008 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35 2025-08-31T10:09:19,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37 2025-08-31T10:09:19,011 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37 2025-08-31T10:09:19,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13 2025-08-31T10:09:19,015 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13 2025-08-31T10:09:19,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39 2025-08-31T10:09:19,018 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39 2025-08-31T10:09:19,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30 2025-08-31T10:09:19,022 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30 2025-08-31T10:09:19,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24 2025-08-31T10:09:19,025 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24 2025-08-31T10:09:19,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42 2025-08-31T10:09:19,029 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42 2025-08-31T10:09:19,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34 2025-08-31T10:09:19,033 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34 2025-08-31T10:09:19,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24 2025-08-31T10:09:19,036 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24 2025-08-31T10:09:19,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19 2025-08-31T10:09:19,040 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19 2025-08-31T10:09:19,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34 2025-08-31T10:09:19,043 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34 2025-08-31T10:09:19,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31 2025-08-31T10:09:19,046 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31 2025-08-31T10:09:19,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38 2025-08-31T10:09:19,050 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38 2025-08-31T10:09:19,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22 2025-08-31T10:09:19,054 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22 2025-08-31T10:09:19,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8 2025-08-31T10:09:19,057 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8 2025-08-31T10:09:19,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23 2025-08-31T10:09:19,061 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23 2025-08-31T10:09:19,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1 2025-08-31T10:09:19,064 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1 2025-08-31T10:09:19,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26 2025-08-31T10:09:19,068 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26 2025-08-31T10:09:19,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38 2025-08-31T10:09:19,071 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38 2025-08-31T10:09:19,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10 2025-08-31T10:09:19,075 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10 2025-08-31T10:09:19,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41 2025-08-31T10:09:19,078 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41 2025-08-31T10:09:19,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45 2025-08-31T10:09:19,081 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45 2025-08-31T10:09:19,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21 2025-08-31T10:09:19,084 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21 2025-08-31T10:09:19,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37 2025-08-31T10:09:19,088 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37 2025-08-31T10:09:19,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9 2025-08-31T10:09:19,091 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9 2025-08-31T10:09:19,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11 2025-08-31T10:09:19,095 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11 2025-08-31T10:09:19,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32 2025-08-31T10:09:19,099 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32 2025-08-31T10:09:19,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15 2025-08-31T10:09:19,103 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15 2025-08-31T10:09:19,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28 2025-08-31T10:09:19,106 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28 2025-08-31T10:09:19,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26 2025-08-31T10:09:19,109 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26 2025-08-31T10:09:19,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29 2025-08-31T10:09:19,113 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29 2025-08-31T10:09:19,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3 2025-08-31T10:09:19,116 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3 2025-08-31T10:09:19,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41 2025-08-31T10:09:19,119 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41 2025-08-31T10:09:19,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2 2025-08-31T10:09:19,123 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2 2025-08-31T10:09:19,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44 2025-08-31T10:09:19,126 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44 2025-08-31T10:09:19,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10 2025-08-31T10:09:19,129 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10 2025-08-31T10:09:19,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11 2025-08-31T10:09:19,132 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11 2025-08-31T10:09:19,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10 2025-08-31T10:09:19,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio 2025-08-31T10:09:19,137 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio 2025-08-31T10:09:19,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf 2025-08-31T10:09:19,141 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf 2025-08-31T10:09:19,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k 2025-08-31T10:09:19,144 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k 2025-08-31T10:09:19,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be 2025-08-31T10:09:19,148 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be 2025-08-31T10:09:19,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s 2025-08-31T10:09:19,151 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s 2025-08-31T10:09:19,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf 2025-08-31T10:09:19,154 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf 2025-08-31T10:09:19,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo 2025-08-31T10:09:19,158 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo 2025-08-31T10:09:19,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o 2025-08-31T10:09:19,161 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o 2025-08-31T10:09:19,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo 2025-08-31T10:09:19,165 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo 2025-08-31T10:09:19,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs 2025-08-31T10:09:19,168 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs 2025-08-31T10:09:19,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao 2025-08-31T10:09:19,171 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao 2025-08-31T10:09:19,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao 2025-08-31T10:09:19,174 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao 2025-08-31T10:09:19,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg 2025-08-31T10:09:19,178 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg 2025-08-31T10:09:19,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li 2025-08-31T10:09:19,181 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li 2025-08-31T10:09:19,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h 2025-08-31T10:09:19,184 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h 2025-08-31T10:09:19,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca 2025-08-31T10:09:19,188 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca 2025-08-31T10:09:19,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na 2025-08-31T10:09:19,191 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na 2025-08-31T10:09:19,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif 2025-08-31T10:09:19,194 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif 2025-08-31T10:09:19,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f 2025-08-31T10:09:19,198 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f 2025-08-31T10:09:19,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef 2025-08-31T10:09:19,201 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef 2025-08-31T10:09:19,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC 2025-08-31T10:09:19,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121 2025-08-31T10:09:19,207 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121 2025-08-31T10:09:19,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94 2025-08-31T10:09:19,210 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94 2025-08-31T10:09:19,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68 2025-08-31T10:09:19,213 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68 2025-08-31T10:09:19,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23 2025-08-31T10:09:19,217 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23 2025-08-31T10:09:19,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8 2025-08-31T10:09:19,220 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8 2025-08-31T10:09:19,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30 2025-08-31T10:09:19,224 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30 2025-08-31T10:09:19,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57 2025-08-31T10:09:19,227 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57 2025-08-31T10:09:19,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106 2025-08-31T10:09:19,231 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106 2025-08-31T10:09:19,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56 2025-08-31T10:09:19,235 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56 2025-08-31T10:09:19,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60 2025-08-31T10:09:19,238 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60 2025-08-31T10:09:19,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61 2025-08-31T10:09:19,242 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61 2025-08-31T10:09:19,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88 2025-08-31T10:09:19,245 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88 2025-08-31T10:09:19,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126 2025-08-31T10:09:19,248 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126 2025-08-31T10:09:19,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34 2025-08-31T10:09:19,252 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34 2025-08-31T10:09:19,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113 2025-08-31T10:09:19,255 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113 2025-08-31T10:09:19,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73 2025-08-31T10:09:19,259 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73 2025-08-31T10:09:19,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118 2025-08-31T10:09:19,262 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118 2025-08-31T10:09:19,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97 2025-08-31T10:09:19,265 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97 2025-08-31T10:09:19,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67 2025-08-31T10:09:19,269 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67 2025-08-31T10:09:19,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22 2025-08-31T10:09:19,272 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22 2025-08-31T10:09:19,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18 2025-08-31T10:09:19,275 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18 2025-08-31T10:09:19,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52 2025-08-31T10:09:19,279 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52 2025-08-31T10:09:19,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59 2025-08-31T10:09:19,282 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59 2025-08-31T10:09:19,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40 2025-08-31T10:09:19,286 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40 2025-08-31T10:09:19,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47 2025-08-31T10:09:19,289 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47 2025-08-31T10:09:19,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21 2025-08-31T10:09:19,293 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21 2025-08-31T10:09:19,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66 2025-08-31T10:09:19,296 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66 2025-08-31T10:09:19,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13 2025-08-31T10:09:19,299 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13 2025-08-31T10:09:19,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58 2025-08-31T10:09:19,302 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58 2025-08-31T10:09:19,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25 2025-08-31T10:09:19,306 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25 2025-08-31T10:09:19,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32 2025-08-31T10:09:19,309 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32 2025-08-31T10:09:19,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6 2025-08-31T10:09:19,313 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6 2025-08-31T10:09:19,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14 2025-08-31T10:09:19,316 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14 2025-08-31T10:09:19,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1 2025-08-31T10:09:19,319 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1 2025-08-31T10:09:19,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24 2025-08-31T10:09:19,322 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24 2025-08-31T10:09:19,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45 2025-08-31T10:09:19,326 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45 2025-08-31T10:09:19,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26 2025-08-31T10:09:19,329 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26 2025-08-31T10:09:19,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104 2025-08-31T10:09:19,333 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104 2025-08-31T10:09:19,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100 2025-08-31T10:09:19,336 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100 2025-08-31T10:09:19,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33 2025-08-31T10:09:19,339 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33 2025-08-31T10:09:19,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51 2025-08-31T10:09:19,343 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51 2025-08-31T10:09:19,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39 2025-08-31T10:09:19,346 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39 2025-08-31T10:09:19,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117 2025-08-31T10:09:19,350 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117 2025-08-31T10:09:19,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128 2025-08-31T10:09:19,353 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128 2025-08-31T10:09:19,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82 2025-08-31T10:09:19,356 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82 2025-08-31T10:09:19,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62 2025-08-31T10:09:19,360 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62 2025-08-31T10:09:19,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11 2025-08-31T10:09:19,363 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11 2025-08-31T10:09:19,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA 2025-08-31T10:09:19,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n 2025-08-31T10:09:19,368 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n 2025-08-31T10:09:19,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n 2025-08-31T10:09:19,371 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n 2025-08-31T10:09:19,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s 2025-08-31T10:09:19,375 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s 2025-08-31T10:09:19,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10 2025-08-31T10:09:19,378 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10 2025-08-31T10:09:19,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11 2025-08-31T10:09:19,381 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11 2025-08-31T10:09:19,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8 2025-08-31T10:09:19,385 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8 2025-08-31T10:09:19,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n 2025-08-31T10:09:19,388 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n 2025-08-31T10:09:19,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16 2025-08-31T10:09:19,391 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16 2025-08-31T10:09:19,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n 2025-08-31T10:09:19,394 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n 2025-08-31T10:09:19,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n 2025-08-31T10:09:19,397 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n 2025-08-31T10:09:19,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13 2025-08-31T10:09:19,401 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13 2025-08-31T10:09:19,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20 2025-08-31T10:09:19,404 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20 2025-08-31T10:09:19,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19 2025-08-31T10:09:19,407 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19 2025-08-31T10:09:19,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n 2025-08-31T10:09:19,411 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n 2025-08-31T10:09:19,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n 2025-08-31T10:09:19,414 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n 2025-08-31T10:09:19,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p- 2025-08-31T10:09:19,417 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p- 2025-08-31T10:09:19,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c- 2025-08-31T10:09:19,421 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c- 2025-08-31T10:09:19,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o- 2025-08-31T10:09:19,424 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o- 2025-08-31T10:09:19,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22 2025-08-31T10:09:19,427 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22 2025-08-31T10:09:19,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23 2025-08-31T10:09:19,430 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23 2025-08-31T10:09:19,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12 2025-08-31T10:09:19,434 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12 2025-08-31T10:09:19,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si 2025-08-31T10:09:19,437 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si 2025-08-31T10:09:19,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl 2025-08-31T10:09:19,440 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl 2025-08-31T10:09:19,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9 2025-08-31T10:09:19,444 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9 2025-08-31T10:09:19,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15 2025-08-31T10:09:19,447 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15 2025-08-31T10:09:19,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25 2025-08-31T10:09:19,450 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25 2025-08-31T10:09:19,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si- 2025-08-31T10:09:19,454 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si- 2025-08-31T10:09:19,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n 2025-08-31T10:09:19,458 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n 2025-08-31T10:09:19,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl- 2025-08-31T10:09:19,462 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl- 2025-08-31T10:09:19,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n 2025-08-31T10:09:19,465 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n 2025-08-31T10:09:19,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f- 2025-08-31T10:09:19,468 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f- 2025-08-31T10:09:19,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f 2025-08-31T10:09:19,471 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f 2025-08-31T10:09:19,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14 2025-08-31T10:09:19,474 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14 2025-08-31T10:09:19,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c 2025-08-31T10:09:19,478 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c 2025-08-31T10:09:19,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17 2025-08-31T10:09:19,481 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17 2025-08-31T10:09:19,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n 2025-08-31T10:09:19,484 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n 2025-08-31T10:09:19,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n 2025-08-31T10:09:19,488 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n 2025-08-31T10:09:19,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n 2025-08-31T10:09:19,491 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n 2025-08-31T10:09:19,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n 2025-08-31T10:09:19,494 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n 2025-08-31T10:09:19,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s- 2025-08-31T10:09:19,498 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s- 2025-08-31T10:09:19,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n 2025-08-31T10:09:19,501 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n 2025-08-31T10:09:19,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n 2025-08-31T10:09:19,504 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n 2025-08-31T10:09:19,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n 2025-08-31T10:09:19,508 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n 2025-08-31T10:09:19,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o 2025-08-31T10:09:19,511 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o 2025-08-31T10:09:19,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n 2025-08-31T10:09:19,514 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n 2025-08-31T10:09:19,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p 2025-08-31T10:09:19,517 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p 2025-08-31T10:09:19,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24 2025-08-31T10:09:19,521 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24 2025-08-31T10:09:19,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18 2025-08-31T10:09:19,524 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18 2025-08-31T10:09:19,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n 2025-08-31T10:09:19,527 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n 2025-08-31T10:09:19,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21 2025-08-31T10:09:19,531 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21 2025-08-31T10:09:19,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6 2025-08-31T10:09:19,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5 2025-08-31T10:09:19,536 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5 2025-08-31T10:09:19,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5 2025-08-31T10:09:19,539 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5 2025-08-31T10:09:19,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3 2025-08-31T10:09:19,543 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3 2025-08-31T10:09:19,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7 2025-08-31T10:09:19,546 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7 2025-08-31T10:09:19,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4 2025-08-31T10:09:19,549 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4 2025-08-31T10:09:19,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6 2025-08-31T10:09:19,552 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6 2025-08-31T10:09:19,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2 2025-08-31T10:09:19,556 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2 2025-08-31T10:09:19,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6 2025-08-31T10:09:19,559 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6 2025-08-31T10:09:19,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7 2025-08-31T10:09:19,562 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7 2025-08-31T10:09:19,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4 2025-08-31T10:09:19,566 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4 2025-08-31T10:09:19,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3 2025-08-31T10:09:19,569 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3 2025-08-31T10:09:19,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2 2025-08-31T10:09:19,573 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2 2025-08-31T10:09:19,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13 2025-08-31T10:09:19,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3 2025-08-31T10:09:19,578 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3 2025-08-31T10:09:19,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4 2025-08-31T10:09:19,581 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4 2025-08-31T10:09:19,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5 2025-08-31T10:09:19,585 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5 2025-08-31T10:09:19,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4 2025-08-31T10:09:19,588 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4 2025-08-31T10:09:19,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts 2025-08-31T10:09:19,592 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts 2025-08-31T10:09:19,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts 2025-08-31T10:09:19,595 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts 2025-08-31T10:09:19,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o 2025-08-31T10:09:19,598 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o 2025-08-31T10:09:19,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3 2025-08-31T10:09:19,601 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3 2025-08-31T10:09:19,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6 2025-08-31T10:09:19,604 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6 2025-08-31T10:09:19,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2 2025-08-31T10:09:19,608 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2 2025-08-31T10:09:19,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf 2025-08-31T10:09:19,611 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf 2025-08-31T10:09:19,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5 2025-08-31T10:09:19,614 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5 2025-08-31T10:09:19,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts 2025-08-31T10:09:19,617 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts 2025-08-31T10:09:19,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2 2025-08-31T10:09:19,621 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2 2025-08-31T10:09:19,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts 2025-08-31T10:09:19,624 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts 2025-08-31T10:09:19,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4 2025-08-31T10:09:19,627 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4 2025-08-31T10:09:19,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3 2025-08-31T10:09:19,630 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3 2025-08-31T10:09:19,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts 2025-08-31T10:09:19,633 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts 2025-08-31T10:09:19,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6 2025-08-31T10:09:19,637 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6 2025-08-31T10:09:19,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts 2025-08-31T10:09:19,640 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts 2025-08-31T10:09:19,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts 2025-08-31T10:09:19,643 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts 2025-08-31T10:09:19,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts 2025-08-31T10:09:19,647 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts 2025-08-31T10:09:19,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts 2025-08-31T10:09:19,650 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts 2025-08-31T10:09:19,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts 2025-08-31T10:09:19,653 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts 2025-08-31T10:09:19,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts 2025-08-31T10:09:19,657 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts 2025-08-31T10:09:19,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts 2025-08-31T10:09:19,660 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts 2025-08-31T10:09:19,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2 2025-08-31T10:09:19,663 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2 2025-08-31T10:09:19,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3 2025-08-31T10:09:19,667 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3 2025-08-31T10:09:19,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts 2025-08-31T10:09:19,670 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts 2025-08-31T10:09:19,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC 2025-08-31T10:09:19,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1 2025-08-31T10:09:19,675 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1 2025-08-31T10:09:19,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH 2025-08-31T10:09:19,678 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH 2025-08-31T10:09:19,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein 2025-08-31T10:09:19,681 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein 2025-08-31T10:09:19,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X 2025-08-31T10:09:19,685 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X 2025-08-31T10:09:19,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5 2025-08-31T10:09:19,688 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5 2025-08-31T10:09:19,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene 2025-08-31T10:09:19,692 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene 2025-08-31T10:09:19,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7 2025-08-31T10:09:19,695 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7 2025-08-31T10:09:19,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8 2025-08-31T10:09:19,699 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8 2025-08-31T10:09:19,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane 2025-08-31T10:09:19,702 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane 2025-08-31T10:09:19,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3 2025-08-31T10:09:19,706 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3 2025-08-31T10:09:19,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6 2025-08-31T10:09:19,710 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6 2025-08-31T10:09:19,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4 2025-08-31T10:09:19,713 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4 2025-08-31T10:09:19,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine 2025-08-31T10:09:19,717 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine 2025-08-31T10:09:19,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X 2025-08-31T10:09:19,720 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X 2025-08-31T10:09:19,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X 2025-08-31T10:09:19,723 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X 2025-08-31T10:09:19,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene 2025-08-31T10:09:19,727 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene 2025-08-31T10:09:19,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10 2025-08-31T10:09:19,730 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10 2025-08-31T10:09:19,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene 2025-08-31T10:09:19,733 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene 2025-08-31T10:09:19,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene 2025-08-31T10:09:19,737 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene 2025-08-31T10:09:19,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9 2025-08-31T10:09:19,740 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9 2025-08-31T10:09:19,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2 2025-08-31T10:09:19,743 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2 2025-08-31T10:09:19,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X 2025-08-31T10:09:19,746 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X 2025-08-31T10:09:19,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27 2025-08-31T10:09:19,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6 2025-08-31T10:09:19,752 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6 2025-08-31T10:09:19,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b 2025-08-31T10:09:19,755 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b 2025-08-31T10:09:19,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs 2025-08-31T10:09:19,758 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs 2025-08-31T10:09:19,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6 2025-08-31T10:09:19,762 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6 2025-08-31T10:09:19,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O 2025-08-31T10:09:19,765 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O 2025-08-31T10:09:19,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d 2025-08-31T10:09:19,768 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d 2025-08-31T10:09:19,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2 2025-08-31T10:09:19,772 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2 2025-08-31T10:09:19,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3 2025-08-31T10:09:19,775 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3 2025-08-31T10:09:19,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4 2025-08-31T10:09:19,778 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4 2025-08-31T10:09:19,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2 2025-08-31T10:09:19,782 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2 2025-08-31T10:09:19,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5 2025-08-31T10:09:19,785 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5 2025-08-31T10:09:19,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5 2025-08-31T10:09:19,789 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5 2025-08-31T10:09:19,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs 2025-08-31T10:09:19,792 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs 2025-08-31T10:09:19,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2 2025-08-31T10:09:19,795 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2 2025-08-31T10:09:19,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4 2025-08-31T10:09:19,799 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4 2025-08-31T10:09:19,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20 2025-08-31T10:09:19,802 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20 2025-08-31T10:09:19,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d 2025-08-31T10:09:19,806 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d 2025-08-31T10:09:19,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3 2025-08-31T10:09:19,809 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3 2025-08-31T10:09:19,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op 2025-08-31T10:09:19,813 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op 2025-08-31T10:09:19,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4 2025-08-31T10:09:19,816 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4 2025-08-31T10:09:19,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c 2025-08-31T10:09:19,820 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c 2025-08-31T10:09:19,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O 2025-08-31T10:09:19,823 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O 2025-08-31T10:09:19,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm 2025-08-31T10:09:19,827 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm 2025-08-31T10:09:19,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2 2025-08-31T10:09:19,830 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2 2025-08-31T10:09:19,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm 2025-08-31T10:09:19,834 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm 2025-08-31T10:09:19,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc 2025-08-31T10:09:19,837 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc 2025-08-31T10:09:19,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d 2025-08-31T10:09:19,840 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d 2025-08-31T10:09:19,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es 2025-08-31T10:09:19,844 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es 2025-08-31T10:09:19,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O 2025-08-31T10:09:19,847 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O 2025-08-31T10:09:19,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3 2025-08-31T10:09:19,850 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3 2025-08-31T10:09:19,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC 2025-08-31T10:09:19,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f- 2025-08-31T10:09:19,857 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f- 2025-08-31T10:09:19,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S 2025-08-31T10:09:19,860 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S 2025-08-31T10:09:19,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08 2025-08-31T10:09:19,864 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08 2025-08-31T10:09:19,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts 2025-08-31T10:09:19,867 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts 2025-08-31T10:09:19,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh 2025-08-31T10:09:19,871 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh 2025-08-31T10:09:19,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc 2025-08-31T10:09:19,875 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc 2025-08-31T10:09:19,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7 2025-08-31T10:09:19,880 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7 2025-08-31T10:09:19,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06 2025-08-31T10:09:19,884 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06 2025-08-31T10:09:19,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O 2025-08-31T10:09:19,888 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O 2025-08-31T10:09:19,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07 2025-08-31T10:09:19,892 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07 2025-08-31T10:09:19,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts 2025-08-31T10:09:19,896 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts 2025-08-31T10:09:19,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21 2025-08-31T10:09:19,901 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21 2025-08-31T10:09:19,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf 2025-08-31T10:09:19,905 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf 2025-08-31T10:09:19,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts 2025-08-31T10:09:19,909 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts 2025-08-31T10:09:19,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22 2025-08-31T10:09:19,913 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22 2025-08-31T10:09:19,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13 2025-08-31T10:09:19,917 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13 2025-08-31T10:09:19,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts 2025-08-31T10:09:19,922 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts 2025-08-31T10:09:19,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5 2025-08-31T10:09:19,926 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5 2025-08-31T10:09:19,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1 2025-08-31T10:09:19,930 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1 2025-08-31T10:09:19,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2 2025-08-31T10:09:19,934 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2 2025-08-31T10:09:19,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12 2025-08-31T10:09:19,938 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12 2025-08-31T10:09:19,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh- 2025-08-31T10:09:19,942 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh- 2025-08-31T10:09:19,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco 2025-08-31T10:09:19,946 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco 2025-08-31T10:09:19,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf 2025-08-31T10:09:19,950 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf 2025-08-31T10:09:19,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2 2025-08-31T10:09:19,955 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2 2025-08-31T10:09:19,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4 2025-08-31T10:09:19,959 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4 2025-08-31T10:09:19,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts 2025-08-31T10:09:19,963 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts 2025-08-31T10:09:19,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2 2025-08-31T10:09:19,967 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2 2025-08-31T10:09:19,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp 2025-08-31T10:09:19,971 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp 2025-08-31T10:09:19,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH 2025-08-31T10:09:19,974 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH 2025-08-31T10:09:19,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f 2025-08-31T10:09:19,978 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f 2025-08-31T10:09:19,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts 2025-08-31T10:09:19,982 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts 2025-08-31T10:09:19,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2 2025-08-31T10:09:19,986 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2 2025-08-31T10:09:19,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11 2025-08-31T10:09:19,989 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11 2025-08-31T10:09:19,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03 2025-08-31T10:09:19,993 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03 2025-08-31T10:09:19,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20 2025-08-31T10:09:19,997 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20 2025-08-31T10:09:19,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17 2025-08-31T10:09:20,000 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17 2025-08-31T10:09:20,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15 2025-08-31T10:09:20,004 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15 2025-08-31T10:09:20,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3 2025-08-31T10:09:20,007 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3 2025-08-31T10:09:20,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts 2025-08-31T10:09:20,010 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts 2025-08-31T10:09:20,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts 2025-08-31T10:09:20,014 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts 2025-08-31T10:09:20,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8 2025-08-31T10:09:20,017 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8 2025-08-31T10:09:20,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4 2025-08-31T10:09:20,021 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4 2025-08-31T10:09:20,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1 2025-08-31T10:09:20,024 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1 2025-08-31T10:09:20,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts 2025-08-31T10:09:20,027 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts 2025-08-31T10:09:20,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01 2025-08-31T10:09:20,030 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01 2025-08-31T10:09:20,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2 2025-08-31T10:09:20,033 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2 2025-08-31T10:09:20,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl- 2025-08-31T10:09:20,037 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl- 2025-08-31T10:09:20,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05 2025-08-31T10:09:20,040 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05 2025-08-31T10:09:20,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H 2025-08-31T10:09:20,043 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H 2025-08-31T10:09:20,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19 2025-08-31T10:09:20,046 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19 2025-08-31T10:09:20,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh 2025-08-31T10:09:20,050 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh 2025-08-31T10:09:20,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2 2025-08-31T10:09:20,053 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2 2025-08-31T10:09:20,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3 2025-08-31T10:09:20,056 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3 2025-08-31T10:09:20,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6 2025-08-31T10:09:20,060 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6 2025-08-31T10:09:20,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co 2025-08-31T10:09:20,063 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co 2025-08-31T10:09:20,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS 2025-08-31T10:09:20,066 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS 2025-08-31T10:09:20,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04 2025-08-31T10:09:20,069 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04 2025-08-31T10:09:20,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts 2025-08-31T10:09:20,072 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts 2025-08-31T10:09:20,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl 2025-08-31T10:09:20,076 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl 2025-08-31T10:09:20,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH 2025-08-31T10:09:20,079 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH 2025-08-31T10:09:20,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14 2025-08-31T10:09:20,082 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14 2025-08-31T10:09:20,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10 2025-08-31T10:09:20,085 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10 2025-08-31T10:09:20,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2 2025-08-31T10:09:20,088 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2 2025-08-31T10:09:20,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h 2025-08-31T10:09:20,092 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h 2025-08-31T10:09:20,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02 2025-08-31T10:09:20,095 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02 2025-08-31T10:09:20,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts 2025-08-31T10:09:20,098 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts 2025-08-31T10:09:20,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts 2025-08-31T10:09:20,102 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts 2025-08-31T10:09:20,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o 2025-08-31T10:09:20,105 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o 2025-08-31T10:09:20,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16 2025-08-31T10:09:20,108 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16 2025-08-31T10:09:20,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots 2025-08-31T10:09:20,111 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots 2025-08-31T10:09:20,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp 2025-08-31T10:09:20,114 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp 2025-08-31T10:09:20,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts 2025-08-31T10:09:20,118 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts 2025-08-31T10:09:20,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09 2025-08-31T10:09:20,122 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09 2025-08-31T10:09:20,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts 2025-08-31T10:09:20,126 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts 2025-08-31T10:09:20,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn 2025-08-31T10:09:20,130 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn 2025-08-31T10:09:20,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2 2025-08-31T10:09:20,134 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2 2025-08-31T10:09:20,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f 2025-08-31T10:09:20,138 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f 2025-08-31T10:09:20,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5 2025-08-31T10:09:20,141 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5 2025-08-31T10:09:20,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts 2025-08-31T10:09:20,145 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts 2025-08-31T10:09:20,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl 2025-08-31T10:09:20,148 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl 2025-08-31T10:09:20,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3 2025-08-31T10:09:20,151 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3 2025-08-31T10:09:20,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18 2025-08-31T10:09:20,154 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18 2025-08-31T10:09:20,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl 2025-08-31T10:09:20,158 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl 2025-08-31T10:09:20,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O 2025-08-31T10:09:20,161 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O 2025-08-31T10:09:20,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2 2025-08-31T10:09:20,165 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2 2025-08-31T10:09:20,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF 2025-08-31T10:09:20,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4 2025-08-31T10:09:20,170 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4 2025-08-31T10:09:20,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12 2025-08-31T10:09:20,173 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12 2025-08-31T10:09:20,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3 2025-08-31T10:09:20,176 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3 2025-08-31T10:09:20,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3 2025-08-31T10:09:20,180 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3 2025-08-31T10:09:20,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13 2025-08-31T10:09:20,183 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13 2025-08-31T10:09:20,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10 2025-08-31T10:09:20,187 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10 2025-08-31T10:09:20,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6 2025-08-31T10:09:20,190 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6 2025-08-31T10:09:20,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14 2025-08-31T10:09:20,194 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14 2025-08-31T10:09:20,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2 2025-08-31T10:09:20,197 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2 2025-08-31T10:09:20,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7 2025-08-31T10:09:20,200 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7 2025-08-31T10:09:20,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5 2025-08-31T10:09:20,204 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5 2025-08-31T10:09:20,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2 2025-08-31T10:09:20,207 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2 2025-08-31T10:09:20,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11 2025-08-31T10:09:20,211 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11 2025-08-31T10:09:20,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1 2025-08-31T10:09:20,214 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1 2025-08-31T10:09:20,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8 2025-08-31T10:09:20,218 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8 2025-08-31T10:09:20,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4 2025-08-31T10:09:20,221 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4 2025-08-31T10:09:20,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1 2025-08-31T10:09:20,225 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1 2025-08-31T10:09:20,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15 2025-08-31T10:09:20,228 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15 2025-08-31T10:09:20,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9 2025-08-31T10:09:20,232 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9 2025-08-31T10:09:20,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI 2025-08-31T10:09:20,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene 2025-08-31T10:09:20,238 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene 2025-08-31T10:09:20,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r 2025-08-31T10:09:20,243 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r 2025-08-31T10:09:20,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2 2025-08-31T10:09:20,247 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2 2025-08-31T10:09:20,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7 2025-08-31T10:09:20,250 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7 2025-08-31T10:09:20,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts 2025-08-31T10:09:20,256 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts 2025-08-31T10:09:20,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a 2025-08-31T10:09:20,259 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a 2025-08-31T10:09:20,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts 2025-08-31T10:09:20,264 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts 2025-08-31T10:09:20,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7 2025-08-31T10:09:20,268 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7 2025-08-31T10:09:20,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane 2025-08-31T10:09:20,273 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane 2025-08-31T10:09:20,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5 2025-08-31T10:09:20,278 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5 2025-08-31T10:09:20,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene 2025-08-31T10:09:20,282 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene 2025-08-31T10:09:20,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3 2025-08-31T10:09:20,286 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3 2025-08-31T10:09:20,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11 2025-08-31T10:09:20,289 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11 2025-08-31T10:09:20,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a 2025-08-31T10:09:20,292 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a 2025-08-31T10:09:20,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a 2025-08-31T10:09:20,296 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a 2025-08-31T10:09:20,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5 2025-08-31T10:09:20,299 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5 2025-08-31T10:09:20,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r 2025-08-31T10:09:20,303 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r 2025-08-31T10:09:20,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r 2025-08-31T10:09:20,306 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r 2025-08-31T10:09:20,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6 2025-08-31T10:09:20,309 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6 2025-08-31T10:09:20,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2025-08-31T10:09:20,313 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2025-08-31T10:09:20,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1 2025-08-31T10:09:20,316 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1 2025-08-31T10:09:20,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10 2025-08-31T10:09:20,319 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10 2025-08-31T10:09:20,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9 2025-08-31T10:09:20,323 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9 2025-08-31T10:09:20,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene 2025-08-31T10:09:20,326 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene 2025-08-31T10:09:20,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a 2025-08-31T10:09:20,330 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a 2025-08-31T10:09:20,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a 2025-08-31T10:09:20,333 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a 2025-08-31T10:09:20,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts 2025-08-31T10:09:20,336 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts 2025-08-31T10:09:20,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2025-08-31T10:09:20,340 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2025-08-31T10:09:20,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6 2025-08-31T10:09:20,343 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6 2025-08-31T10:09:20,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene 2025-08-31T10:09:20,347 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene 2025-08-31T10:09:20,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2025-08-31T10:09:20,350 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2025-08-31T10:09:20,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2025-08-31T10:09:20,354 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2025-08-31T10:09:20,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a 2025-08-31T10:09:20,357 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a 2025-08-31T10:09:20,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2025-08-31T10:09:20,361 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2025-08-31T10:09:20,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4 2025-08-31T10:09:20,365 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4 2025-08-31T10:09:20,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a 2025-08-31T10:09:20,368 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a 2025-08-31T10:09:20,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene 2025-08-31T10:09:20,371 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene 2025-08-31T10:09:20,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1 2025-08-31T10:09:20,374 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1 2025-08-31T10:09:20,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r 2025-08-31T10:09:20,378 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r 2025-08-31T10:09:20,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8 2025-08-31T10:09:20,381 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8 2025-08-31T10:09:20,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts 2025-08-31T10:09:20,384 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts 2025-08-31T10:09:20,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts 2025-08-31T10:09:20,388 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts 2025-08-31T10:09:20,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r 2025-08-31T10:09:20,391 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r 2025-08-31T10:09:20,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r 2025-08-31T10:09:20,395 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r 2025-08-31T10:09:20,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts 2025-08-31T10:09:20,398 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts 2025-08-31T10:09:20,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4 2025-08-31T10:09:20,402 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4 2025-08-31T10:09:20,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9 2025-08-31T10:09:20,405 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9 2025-08-31T10:09:20,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3 2025-08-31T10:09:20,408 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3 2025-08-31T10:09:20,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r 2025-08-31T10:09:20,412 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r 2025-08-31T10:09:20,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts 2025-08-31T10:09:20,415 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts 2025-08-31T10:09:20,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene 2025-08-31T10:09:20,418 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene 2025-08-31T10:09:20,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene 2025-08-31T10:09:20,421 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene 2025-08-31T10:09:20,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts 2025-08-31T10:09:20,425 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts 2025-08-31T10:09:20,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8 2025-08-31T10:09:20,428 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8 2025-08-31T10:09:20,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a 2025-08-31T10:09:20,432 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a 2025-08-31T10:09:20,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4 2025-08-31T10:09:20,435 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4 2025-08-31T10:09:20,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2 2025-08-31T10:09:20,438 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2 2025-08-31T10:09:20,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts 2025-08-31T10:09:20,442 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts 2025-08-31T10:09:20,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene 2025-08-31T10:09:20,445 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene 2025-08-31T10:09:20,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a 2025-08-31T10:09:20,448 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a 2025-08-31T10:09:20,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r 2025-08-31T10:09:20,451 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r 2025-08-31T10:09:20,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76 2025-08-31T10:09:20,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f- 2025-08-31T10:09:20,457 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f- 2025-08-31T10:09:20,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S 2025-08-31T10:09:20,461 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S 2025-08-31T10:09:20,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08 2025-08-31T10:09:20,464 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08 2025-08-31T10:09:20,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts 2025-08-31T10:09:20,467 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts 2025-08-31T10:09:20,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh 2025-08-31T10:09:20,470 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh 2025-08-31T10:09:20,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc 2025-08-31T10:09:20,474 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc 2025-08-31T10:09:20,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7 2025-08-31T10:09:20,477 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7 2025-08-31T10:09:20,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06 2025-08-31T10:09:20,481 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06 2025-08-31T10:09:20,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O 2025-08-31T10:09:20,484 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O 2025-08-31T10:09:20,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07 2025-08-31T10:09:20,487 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07 2025-08-31T10:09:20,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts 2025-08-31T10:09:20,491 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts 2025-08-31T10:09:20,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21 2025-08-31T10:09:20,494 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21 2025-08-31T10:09:20,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf 2025-08-31T10:09:20,497 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf 2025-08-31T10:09:20,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts 2025-08-31T10:09:20,500 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts 2025-08-31T10:09:20,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22 2025-08-31T10:09:20,504 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22 2025-08-31T10:09:20,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13 2025-08-31T10:09:20,507 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13 2025-08-31T10:09:20,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts 2025-08-31T10:09:20,510 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts 2025-08-31T10:09:20,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5 2025-08-31T10:09:20,514 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5 2025-08-31T10:09:20,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1 2025-08-31T10:09:20,517 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1 2025-08-31T10:09:20,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2 2025-08-31T10:09:20,521 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2 2025-08-31T10:09:20,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12 2025-08-31T10:09:20,524 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12 2025-08-31T10:09:20,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh- 2025-08-31T10:09:20,528 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh- 2025-08-31T10:09:20,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco 2025-08-31T10:09:20,531 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco 2025-08-31T10:09:20,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf 2025-08-31T10:09:20,534 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf 2025-08-31T10:09:20,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2 2025-08-31T10:09:20,537 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2 2025-08-31T10:09:20,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4 2025-08-31T10:09:20,540 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4 2025-08-31T10:09:20,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts 2025-08-31T10:09:20,544 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts 2025-08-31T10:09:20,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2 2025-08-31T10:09:20,547 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2 2025-08-31T10:09:20,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp 2025-08-31T10:09:20,550 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp 2025-08-31T10:09:20,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH 2025-08-31T10:09:20,553 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH 2025-08-31T10:09:20,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f 2025-08-31T10:09:20,557 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f 2025-08-31T10:09:20,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts 2025-08-31T10:09:20,560 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts 2025-08-31T10:09:20,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2 2025-08-31T10:09:20,563 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2 2025-08-31T10:09:20,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11 2025-08-31T10:09:20,566 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11 2025-08-31T10:09:20,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03 2025-08-31T10:09:20,570 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03 2025-08-31T10:09:20,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20 2025-08-31T10:09:20,573 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20 2025-08-31T10:09:20,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17 2025-08-31T10:09:20,577 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17 2025-08-31T10:09:20,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15 2025-08-31T10:09:20,580 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15 2025-08-31T10:09:20,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3 2025-08-31T10:09:20,583 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3 2025-08-31T10:09:20,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts 2025-08-31T10:09:20,587 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts 2025-08-31T10:09:20,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts 2025-08-31T10:09:20,590 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts 2025-08-31T10:09:20,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8 2025-08-31T10:09:20,593 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8 2025-08-31T10:09:20,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4 2025-08-31T10:09:20,597 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4 2025-08-31T10:09:20,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1 2025-08-31T10:09:20,600 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1 2025-08-31T10:09:20,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts 2025-08-31T10:09:20,604 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts 2025-08-31T10:09:20,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01 2025-08-31T10:09:20,607 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01 2025-08-31T10:09:20,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2 2025-08-31T10:09:20,610 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2 2025-08-31T10:09:20,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl- 2025-08-31T10:09:20,614 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl- 2025-08-31T10:09:20,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05 2025-08-31T10:09:20,617 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05 2025-08-31T10:09:20,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H 2025-08-31T10:09:20,620 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H 2025-08-31T10:09:20,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19 2025-08-31T10:09:20,624 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19 2025-08-31T10:09:20,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh 2025-08-31T10:09:20,627 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh 2025-08-31T10:09:20,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2 2025-08-31T10:09:20,630 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2 2025-08-31T10:09:20,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3 2025-08-31T10:09:20,634 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3 2025-08-31T10:09:20,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6 2025-08-31T10:09:20,637 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6 2025-08-31T10:09:20,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co 2025-08-31T10:09:20,640 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co 2025-08-31T10:09:20,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS 2025-08-31T10:09:20,644 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS 2025-08-31T10:09:20,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04 2025-08-31T10:09:20,647 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04 2025-08-31T10:09:20,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts 2025-08-31T10:09:20,651 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts 2025-08-31T10:09:20,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl 2025-08-31T10:09:20,655 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl 2025-08-31T10:09:20,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH 2025-08-31T10:09:20,658 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH 2025-08-31T10:09:20,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14 2025-08-31T10:09:20,661 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14 2025-08-31T10:09:20,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10 2025-08-31T10:09:20,664 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10 2025-08-31T10:09:20,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2 2025-08-31T10:09:20,667 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2 2025-08-31T10:09:20,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h 2025-08-31T10:09:20,671 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h 2025-08-31T10:09:20,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02 2025-08-31T10:09:20,674 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02 2025-08-31T10:09:20,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts 2025-08-31T10:09:20,677 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts 2025-08-31T10:09:20,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts 2025-08-31T10:09:20,681 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts 2025-08-31T10:09:20,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o 2025-08-31T10:09:20,684 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o 2025-08-31T10:09:20,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16 2025-08-31T10:09:20,688 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16 2025-08-31T10:09:20,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots 2025-08-31T10:09:20,691 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots 2025-08-31T10:09:20,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp 2025-08-31T10:09:20,695 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp 2025-08-31T10:09:20,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts 2025-08-31T10:09:20,699 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts 2025-08-31T10:09:20,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09 2025-08-31T10:09:20,703 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09 2025-08-31T10:09:20,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts 2025-08-31T10:09:20,706 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts 2025-08-31T10:09:20,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn 2025-08-31T10:09:20,709 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn 2025-08-31T10:09:20,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2 2025-08-31T10:09:20,712 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2 2025-08-31T10:09:20,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f 2025-08-31T10:09:20,716 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f 2025-08-31T10:09:20,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5 2025-08-31T10:09:20,719 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5 2025-08-31T10:09:20,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts 2025-08-31T10:09:20,722 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts 2025-08-31T10:09:20,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl 2025-08-31T10:09:20,725 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl 2025-08-31T10:09:20,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3 2025-08-31T10:09:20,729 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3 2025-08-31T10:09:20,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18 2025-08-31T10:09:20,732 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18 2025-08-31T10:09:20,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl 2025-08-31T10:09:20,736 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl 2025-08-31T10:09:20,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O 2025-08-31T10:09:20,739 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O 2025-08-31T10:09:20,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2 2025-08-31T10:09:20,742 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2 2025-08-31T10:09:20,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21 2025-08-31T10:09:20,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab 2025-08-31T10:09:20,748 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab 2025-08-31T10:09:20,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII 2025-08-31T10:09:20,751 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII 2025-08-31T10:09:20,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444 2025-08-31T10:09:20,754 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444 2025-08-31T10:09:20,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII 2025-08-31T10:09:20,758 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII 2025-08-31T10:09:20,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691 2025-08-31T10:09:20,761 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691 2025-08-31T10:09:20,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114 2025-08-31T10:09:20,765 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114 2025-08-31T10:09:20,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR 2025-08-31T10:09:20,768 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR 2025-08-31T10:09:20,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b 2025-08-31T10:09:20,772 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b 2025-08-31T10:09:20,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470 2025-08-31T10:09:20,775 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470 2025-08-31T10:09:20,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412 2025-08-31T10:09:20,779 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412 2025-08-31T10:09:20,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR 2025-08-31T10:09:20,783 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR 2025-08-31T10:09:20,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99 2025-08-31T10:09:20,786 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99 2025-08-31T10:09:20,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357 2025-08-31T10:09:20,790 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357 2025-08-31T10:09:20,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300 2025-08-31T10:09:20,794 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300 2025-08-31T10:09:20,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366 2025-08-31T10:09:20,797 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366 2025-08-31T10:09:20,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215 2025-08-31T10:09:20,800 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215 2025-08-31T10:09:20,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b 2025-08-31T10:09:20,804 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b 2025-08-31T10:09:20,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL 2025-08-31T10:09:20,807 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL 2025-08-31T10:09:20,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224 2025-08-31T10:09:20,811 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224 2025-08-31T10:09:20,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab 2025-08-31T10:09:20,815 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab 2025-08-31T10:09:20,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL 2025-08-31T10:09:20,818 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL 2025-08-31T10:09:20,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59 2025-08-31T10:09:20,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl 2025-08-31T10:09:20,825 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl 2025-08-31T10:09:20,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI 2025-08-31T10:09:20,828 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI 2025-08-31T10:09:20,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA 2025-08-31T10:09:20,831 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA 2025-08-31T10:09:20,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA 2025-08-31T10:09:20,835 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA 2025-08-31T10:09:20,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA 2025-08-31T10:09:20,838 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA 2025-08-31T10:09:20,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2 2025-08-31T10:09:20,841 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2 2025-08-31T10:09:20,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr 2025-08-31T10:09:20,844 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr 2025-08-31T10:09:20,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS 2025-08-31T10:09:20,848 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS 2025-08-31T10:09:20,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI 2025-08-31T10:09:20,851 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI 2025-08-31T10:09:20,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB 2025-08-31T10:09:20,855 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB 2025-08-31T10:09:20,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B 2025-08-31T10:09:20,858 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B 2025-08-31T10:09:20,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB 2025-08-31T10:09:20,861 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB 2025-08-31T10:09:20,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA 2025-08-31T10:09:20,865 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA 2025-08-31T10:09:20,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB 2025-08-31T10:09:20,868 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB 2025-08-31T10:09:20,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA 2025-08-31T10:09:20,871 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA 2025-08-31T10:09:20,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB 2025-08-31T10:09:20,875 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB 2025-08-31T10:09:20,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3 2025-08-31T10:09:20,878 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3 2025-08-31T10:09:20,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB 2025-08-31T10:09:20,881 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB 2025-08-31T10:09:20,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB 2025-08-31T10:09:20,885 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB 2025-08-31T10:09:20,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB 2025-08-31T10:09:20,888 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB 2025-08-31T10:09:20,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH 2025-08-31T10:09:20,892 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH 2025-08-31T10:09:20,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe 2025-08-31T10:09:20,895 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe 2025-08-31T10:09:20,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH 2025-08-31T10:09:20,899 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH 2025-08-31T10:09:20,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA 2025-08-31T10:09:20,902 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA 2025-08-31T10:09:20,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr 2025-08-31T10:09:20,906 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr 2025-08-31T10:09:20,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr 2025-08-31T10:09:20,909 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr 2025-08-31T10:09:20,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A 2025-08-31T10:09:20,912 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A 2025-08-31T10:09:20,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr 2025-08-31T10:09:20,915 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr 2025-08-31T10:09:20,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2 2025-08-31T10:09:20,919 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2 2025-08-31T10:09:20,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B 2025-08-31T10:09:20,922 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B 2025-08-31T10:09:20,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3 2025-08-31T10:09:20,926 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3 2025-08-31T10:09:20,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH 2025-08-31T10:09:20,929 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH 2025-08-31T10:09:20,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS 2025-08-31T10:09:20,932 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS 2025-08-31T10:09:20,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl 2025-08-31T10:09:20,936 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl 2025-08-31T10:09:20,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB 2025-08-31T10:09:20,939 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB 2025-08-31T10:09:20,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH 2025-08-31T10:09:20,943 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH 2025-08-31T10:09:20,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3 2025-08-31T10:09:20,946 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3 2025-08-31T10:09:20,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe 2025-08-31T10:09:20,950 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe 2025-08-31T10:09:20,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr 2025-08-31T10:09:20,953 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr 2025-08-31T10:09:20,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A 2025-08-31T10:09:20,956 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A 2025-08-31T10:09:20,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr 2025-08-31T10:09:20,960 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr 2025-08-31T10:09:20,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB 2025-08-31T10:09:20,963 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB 2025-08-31T10:09:20,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI 2025-08-31T10:09:20,967 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI 2025-08-31T10:09:20,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB 2025-08-31T10:09:20,970 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB 2025-08-31T10:09:20,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB 2025-08-31T10:09:20,974 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB 2025-08-31T10:09:20,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI 2025-08-31T10:09:20,978 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI 2025-08-31T10:09:20,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH 2025-08-31T10:09:20,982 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH 2025-08-31T10:09:20,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA 2025-08-31T10:09:20,985 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA 2025-08-31T10:09:20,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB 2025-08-31T10:09:20,989 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB 2025-08-31T10:09:20,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH 2025-08-31T10:09:20,993 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH 2025-08-31T10:09:20,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB 2025-08-31T10:09:20,996 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB 2025-08-31T10:09:20,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS 2025-08-31T10:09:21,000 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS 2025-08-31T10:09:21,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3 2025-08-31T10:09:21,003 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3 2025-08-31T10:09:21,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI 2025-08-31T10:09:21,007 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI 2025-08-31T10:09:21,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA 2025-08-31T10:09:21,010 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA 2025-08-31T10:09:21,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH 2025-08-31T10:09:21,014 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH 2025-08-31T10:09:21,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA 2025-08-31T10:09:21,018 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA 2025-08-31T10:09:21,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS 2025-08-31T10:09:21,021 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS 2025-08-31T10:09:21,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe 2025-08-31T10:09:21,025 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe 2025-08-31T10:09:21,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB 2025-08-31T10:09:21,029 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB 2025-08-31T10:09:21,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB 2025-08-31T10:09:21,032 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB 2025-08-31T10:09:21,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB 2025-08-31T10:09:21,036 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB 2025-08-31T10:09:21,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3 2025-08-31T10:09:21,039 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3 2025-08-31T10:09:21,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH 2025-08-31T10:09:21,043 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH 2025-08-31T10:09:21,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI 2025-08-31T10:09:21,046 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI 2025-08-31T10:09:21,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH 2025-08-31T10:09:21,050 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH 2025-08-31T10:09:21,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl 2025-08-31T10:09:21,054 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl 2025-08-31T10:09:21,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr 2025-08-31T10:09:21,058 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr 2025-08-31T10:09:21,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH 2025-08-31T10:09:21,061 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH 2025-08-31T10:09:21,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB 2025-08-31T10:09:21,065 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB 2025-08-31T10:09:21,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A 2025-08-31T10:09:21,069 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A 2025-08-31T10:09:21,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB 2025-08-31T10:09:21,072 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB 2025-08-31T10:09:21,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA 2025-08-31T10:09:21,076 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA 2025-08-31T10:09:21,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B 2025-08-31T10:09:21,079 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B 2025-08-31T10:09:21,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS 2025-08-31T10:09:21,083 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS 2025-08-31T10:09:21,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr 2025-08-31T10:09:21,086 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr 2025-08-31T10:09:21,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB 2025-08-31T10:09:21,090 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB 2025-08-31T10:09:21,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2 2025-08-31T10:09:21,093 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2 2025-08-31T10:09:21,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2 2025-08-31T10:09:21,096 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2 2025-08-31T10:09:21,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS 2025-08-31T10:09:21,100 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS 2025-08-31T10:09:21,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl 2025-08-31T10:09:21,103 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl 2025-08-31T10:09:21,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr 2025-08-31T10:09:21,107 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr 2025-08-31T10:09:21,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS 2025-08-31T10:09:21,110 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS 2025-08-31T10:09:21,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB 2025-08-31T10:09:21,114 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB 2025-08-31T10:09:21,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB 2025-08-31T10:09:21,117 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB 2025-08-31T10:09:21,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB 2025-08-31T10:09:21,121 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB 2025-08-31T10:09:21,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3 2025-08-31T10:09:21,124 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3 2025-08-31T10:09:21,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr 2025-08-31T10:09:21,127 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr 2025-08-31T10:09:21,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI 2025-08-31T10:09:21,131 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI 2025-08-31T10:09:21,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB 2025-08-31T10:09:21,134 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB 2025-08-31T10:09:21,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe 2025-08-31T10:09:21,138 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe 2025-08-31T10:09:21,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3 2025-08-31T10:09:21,141 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3 2025-08-31T10:09:21,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI 2025-08-31T10:09:21,145 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI 2025-08-31T10:09:21,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS 2025-08-31T10:09:21,148 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS 2025-08-31T10:09:21,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA 2025-08-31T10:09:21,152 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA 2025-08-31T10:09:21,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI 2025-08-31T10:09:21,156 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI 2025-08-31T10:09:21,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI 2025-08-31T10:09:21,159 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI 2025-08-31T10:09:21,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB 2025-08-31T10:09:21,162 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB 2025-08-31T10:09:21,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3 2025-08-31T10:09:21,166 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3 2025-08-31T10:09:21,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr 2025-08-31T10:09:21,169 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr 2025-08-31T10:09:21,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr 2025-08-31T10:09:21,173 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr 2025-08-31T10:09:21,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB 2025-08-31T10:09:21,176 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB 2025-08-31T10:09:21,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr 2025-08-31T10:09:21,180 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr 2025-08-31T10:09:21,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH 2025-08-31T10:09:21,183 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH 2025-08-31T10:09:21,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH 2025-08-31T10:09:21,187 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH 2025-08-31T10:09:21,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26 2025-08-31T10:09:21,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G 2025-08-31T10:09:21,193 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G 2025-08-31T10:09:21,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp 2025-08-31T10:09:21,196 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp 2025-08-31T10:09:21,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp 2025-08-31T10:09:21,200 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp 2025-08-31T10:09:21,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp 2025-08-31T10:09:21,204 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp 2025-08-31T10:09:21,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol 2025-08-31T10:09:21,207 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol 2025-08-31T10:09:21,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6 2025-08-31T10:09:21,210 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6 2025-08-31T10:09:21,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp 2025-08-31T10:09:21,214 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp 2025-08-31T10:09:21,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A 2025-08-31T10:09:21,217 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A 2025-08-31T10:09:21,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp 2025-08-31T10:09:21,221 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp 2025-08-31T10:09:21,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol 2025-08-31T10:09:21,225 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol 2025-08-31T10:09:21,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o 2025-08-31T10:09:21,228 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o 2025-08-31T10:09:21,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp 2025-08-31T10:09:21,232 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp 2025-08-31T10:09:21,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh 2025-08-31T10:09:21,236 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh 2025-08-31T10:09:21,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p 2025-08-31T10:09:21,240 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p 2025-08-31T10:09:21,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3 2025-08-31T10:09:21,243 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3 2025-08-31T10:09:21,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p 2025-08-31T10:09:21,247 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p 2025-08-31T10:09:21,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p 2025-08-31T10:09:21,250 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p 2025-08-31T10:09:21,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4 2025-08-31T10:09:21,254 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4 2025-08-31T10:09:21,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap 2025-08-31T10:09:21,257 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap 2025-08-31T10:09:21,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4 2025-08-31T10:09:21,260 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4 2025-08-31T10:09:21,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2 2025-08-31T10:09:21,264 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2 2025-08-31T10:09:21,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8 2025-08-31T10:09:21,268 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8 2025-08-31T10:09:21,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p 2025-08-31T10:09:21,271 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p 2025-08-31T10:09:21,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3 2025-08-31T10:09:21,275 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3 2025-08-31T10:09:21,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6 2025-08-31T10:09:21,279 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6 2025-08-31T10:09:21,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p 2025-08-31T10:09:21,283 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p 2025-08-31T10:09:21,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly 2025-08-31T10:09:21,286 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly 2025-08-31T10:09:21,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p 2025-08-31T10:09:21,290 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p 2025-08-31T10:09:21,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp 2025-08-31T10:09:21,294 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp 2025-08-31T10:09:21,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p 2025-08-31T10:09:21,297 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p 2025-08-31T10:09:21,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p 2025-08-31T10:09:21,300 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p 2025-08-31T10:09:21,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass 2025-08-31T10:09:21,304 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass 2025-08-31T10:09:21,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s 2025-08-31T10:09:21,308 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s 2025-08-31T10:09:21,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol 2025-08-31T10:09:21,311 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol 2025-08-31T10:09:21,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T 2025-08-31T10:09:21,315 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T 2025-08-31T10:09:21,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp 2025-08-31T10:09:21,318 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp 2025-08-31T10:09:21,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys 2025-08-31T10:09:21,322 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys 2025-08-31T10:09:21,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op 2025-08-31T10:09:21,325 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op 2025-08-31T10:09:21,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp 2025-08-31T10:09:21,329 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp 2025-08-31T10:09:21,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp 2025-08-31T10:09:21,334 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp 2025-08-31T10:09:21,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp 2025-08-31T10:09:21,338 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp 2025-08-31T10:09:21,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2 2025-08-31T10:09:21,341 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2 2025-08-31T10:09:21,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p 2025-08-31T10:09:21,345 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p 2025-08-31T10:09:21,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C 2025-08-31T10:09:21,349 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C 2025-08-31T10:09:21,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp 2025-08-31T10:09:21,352 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp 2025-08-31T10:09:21,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p 2025-08-31T10:09:21,356 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p 2025-08-31T10:09:21,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s 2025-08-31T10:09:21,360 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s 2025-08-31T10:09:21,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp 2025-08-31T10:09:21,363 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp 2025-08-31T10:09:21,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6 2025-08-31T10:09:21,367 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6 2025-08-31T10:09:21,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p 2025-08-31T10:09:21,370 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p 2025-08-31T10:09:21,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl 2025-08-31T10:09:21,374 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl 2025-08-31T10:09:21,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2 2025-08-31T10:09:21,378 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2 2025-08-31T10:09:21,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66 2025-08-31T10:09:21,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B 2025-08-31T10:09:21,388 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B 2025-08-31T10:09:21,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02 2025-08-31T10:09:21,392 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02 2025-08-31T10:09:21,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B 2025-08-31T10:09:21,397 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B 2025-08-31T10:09:21,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A 2025-08-31T10:09:21,401 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A 2025-08-31T10:09:21,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54 2025-08-31T10:09:21,406 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54 2025-08-31T10:09:21,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B 2025-08-31T10:09:21,411 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B 2025-08-31T10:09:21,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A 2025-08-31T10:09:21,415 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A 2025-08-31T10:09:21,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B 2025-08-31T10:09:21,420 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B 2025-08-31T10:09:21,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A 2025-08-31T10:09:21,424 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A 2025-08-31T10:09:21,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A 2025-08-31T10:09:21,429 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A 2025-08-31T10:09:21,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23 2025-08-31T10:09:21,433 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23 2025-08-31T10:09:21,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A 2025-08-31T10:09:21,437 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A 2025-08-31T10:09:21,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08 2025-08-31T10:09:21,442 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08 2025-08-31T10:09:21,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A 2025-08-31T10:09:21,447 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A 2025-08-31T10:09:21,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B 2025-08-31T10:09:21,451 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B 2025-08-31T10:09:21,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B 2025-08-31T10:09:21,456 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B 2025-08-31T10:09:21,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B 2025-08-31T10:09:21,461 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B 2025-08-31T10:09:21,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B 2025-08-31T10:09:21,465 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B 2025-08-31T10:09:21,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A 2025-08-31T10:09:21,470 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A 2025-08-31T10:09:21,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A 2025-08-31T10:09:21,474 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A 2025-08-31T10:09:21,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A 2025-08-31T10:09:21,479 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A 2025-08-31T10:09:21,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B 2025-08-31T10:09:21,483 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B 2025-08-31T10:09:21,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30 2025-08-31T10:09:21,487 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30 2025-08-31T10:09:21,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64 2025-08-31T10:09:21,491 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64 2025-08-31T10:09:21,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57 2025-08-31T10:09:21,495 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57 2025-08-31T10:09:21,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B 2025-08-31T10:09:21,499 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B 2025-08-31T10:09:21,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A 2025-08-31T10:09:21,503 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A 2025-08-31T10:09:21,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A 2025-08-31T10:09:21,507 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A 2025-08-31T10:09:21,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A 2025-08-31T10:09:21,510 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A 2025-08-31T10:09:21,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B 2025-08-31T10:09:21,514 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B 2025-08-31T10:09:21,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B 2025-08-31T10:09:21,518 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B 2025-08-31T10:09:21,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56 2025-08-31T10:09:21,521 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56 2025-08-31T10:09:21,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B 2025-08-31T10:09:21,525 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B 2025-08-31T10:09:21,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B 2025-08-31T10:09:21,528 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B 2025-08-31T10:09:21,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B 2025-08-31T10:09:21,532 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B 2025-08-31T10:09:21,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60 2025-08-31T10:09:21,536 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60 2025-08-31T10:09:21,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B 2025-08-31T10:09:21,540 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B 2025-08-31T10:09:21,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61 2025-08-31T10:09:21,543 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61 2025-08-31T10:09:21,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29 2025-08-31T10:09:21,547 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29 2025-08-31T10:09:21,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06 2025-08-31T10:09:21,551 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06 2025-08-31T10:09:21,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A 2025-08-31T10:09:21,555 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A 2025-08-31T10:09:21,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A 2025-08-31T10:09:21,558 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A 2025-08-31T10:09:21,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42 2025-08-31T10:09:21,562 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42 2025-08-31T10:09:21,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B 2025-08-31T10:09:21,565 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B 2025-08-31T10:09:21,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A 2025-08-31T10:09:21,569 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A 2025-08-31T10:09:21,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10 2025-08-31T10:09:21,572 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10 2025-08-31T10:09:21,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A 2025-08-31T10:09:21,576 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A 2025-08-31T10:09:21,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34 2025-08-31T10:09:21,580 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34 2025-08-31T10:09:21,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A 2025-08-31T10:09:21,584 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A 2025-08-31T10:09:21,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A 2025-08-31T10:09:21,588 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A 2025-08-31T10:09:21,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B 2025-08-31T10:09:21,592 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B 2025-08-31T10:09:21,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A 2025-08-31T10:09:21,596 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A 2025-08-31T10:09:21,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A 2025-08-31T10:09:21,599 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A 2025-08-31T10:09:21,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22 2025-08-31T10:09:21,603 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22 2025-08-31T10:09:21,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A 2025-08-31T10:09:21,606 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A 2025-08-31T10:09:21,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18 2025-08-31T10:09:21,610 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18 2025-08-31T10:09:21,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16 2025-08-31T10:09:21,614 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16 2025-08-31T10:09:21,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B 2025-08-31T10:09:21,618 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B 2025-08-31T10:09:21,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A 2025-08-31T10:09:21,621 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A 2025-08-31T10:09:21,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52 2025-08-31T10:09:21,625 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52 2025-08-31T10:09:21,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04 2025-08-31T10:09:21,629 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04 2025-08-31T10:09:21,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59 2025-08-31T10:09:21,633 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59 2025-08-31T10:09:21,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37 2025-08-31T10:09:21,636 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37 2025-08-31T10:09:21,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B 2025-08-31T10:09:21,640 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B 2025-08-31T10:09:21,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B 2025-08-31T10:09:21,643 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B 2025-08-31T10:09:21,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40 2025-08-31T10:09:21,646 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40 2025-08-31T10:09:21,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B 2025-08-31T10:09:21,650 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B 2025-08-31T10:09:21,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09 2025-08-31T10:09:21,653 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09 2025-08-31T10:09:21,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B 2025-08-31T10:09:21,657 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B 2025-08-31T10:09:21,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A 2025-08-31T10:09:21,660 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A 2025-08-31T10:09:21,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28 2025-08-31T10:09:21,664 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28 2025-08-31T10:09:21,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36 2025-08-31T10:09:21,667 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36 2025-08-31T10:09:21,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A 2025-08-31T10:09:21,671 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A 2025-08-31T10:09:21,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47 2025-08-31T10:09:21,674 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47 2025-08-31T10:09:21,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A 2025-08-31T10:09:21,678 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A 2025-08-31T10:09:21,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A 2025-08-31T10:09:21,682 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A 2025-08-31T10:09:21,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B 2025-08-31T10:09:21,685 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B 2025-08-31T10:09:21,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B 2025-08-31T10:09:21,689 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B 2025-08-31T10:09:21,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A 2025-08-31T10:09:21,692 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A 2025-08-31T10:09:21,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B 2025-08-31T10:09:21,696 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B 2025-08-31T10:09:21,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B 2025-08-31T10:09:21,699 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B 2025-08-31T10:09:21,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21 2025-08-31T10:09:21,703 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21 2025-08-31T10:09:21,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A 2025-08-31T10:09:21,706 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A 2025-08-31T10:09:21,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65 2025-08-31T10:09:21,710 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65 2025-08-31T10:09:21,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66 2025-08-31T10:09:21,714 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66 2025-08-31T10:09:21,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B 2025-08-31T10:09:21,718 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B 2025-08-31T10:09:21,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B 2025-08-31T10:09:21,721 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B 2025-08-31T10:09:21,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13 2025-08-31T10:09:21,725 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13 2025-08-31T10:09:21,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B 2025-08-31T10:09:21,729 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B 2025-08-31T10:09:21,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B 2025-08-31T10:09:21,732 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B 2025-08-31T10:09:21,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58 2025-08-31T10:09:21,736 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58 2025-08-31T10:09:21,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25 2025-08-31T10:09:21,740 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25 2025-08-31T10:09:21,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B 2025-08-31T10:09:21,744 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B 2025-08-31T10:09:21,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32 2025-08-31T10:09:21,747 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32 2025-08-31T10:09:21,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A 2025-08-31T10:09:21,751 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A 2025-08-31T10:09:21,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A 2025-08-31T10:09:21,754 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A 2025-08-31T10:09:21,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A 2025-08-31T10:09:21,758 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A 2025-08-31T10:09:21,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A 2025-08-31T10:09:21,762 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A 2025-08-31T10:09:21,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B 2025-08-31T10:09:21,765 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B 2025-08-31T10:09:21,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A 2025-08-31T10:09:21,769 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A 2025-08-31T10:09:21,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B 2025-08-31T10:09:21,772 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B 2025-08-31T10:09:21,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41 2025-08-31T10:09:21,776 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41 2025-08-31T10:09:21,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14 2025-08-31T10:09:21,780 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14 2025-08-31T10:09:21,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A 2025-08-31T10:09:21,783 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A 2025-08-31T10:09:21,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A 2025-08-31T10:09:21,787 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A 2025-08-31T10:09:21,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A 2025-08-31T10:09:21,790 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A 2025-08-31T10:09:21,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A 2025-08-31T10:09:21,793 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A 2025-08-31T10:09:21,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A 2025-08-31T10:09:21,797 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A 2025-08-31T10:09:21,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15 2025-08-31T10:09:21,800 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15 2025-08-31T10:09:21,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A 2025-08-31T10:09:21,804 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A 2025-08-31T10:09:21,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B 2025-08-31T10:09:21,807 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B 2025-08-31T10:09:21,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A 2025-08-31T10:09:21,811 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A 2025-08-31T10:09:21,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38 2025-08-31T10:09:21,814 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38 2025-08-31T10:09:21,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24 2025-08-31T10:09:21,818 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24 2025-08-31T10:09:21,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B 2025-08-31T10:09:21,822 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B 2025-08-31T10:09:21,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B 2025-08-31T10:09:21,825 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B 2025-08-31T10:09:21,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B 2025-08-31T10:09:21,829 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B 2025-08-31T10:09:21,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A 2025-08-31T10:09:21,832 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A 2025-08-31T10:09:21,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B 2025-08-31T10:09:21,836 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B 2025-08-31T10:09:21,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19 2025-08-31T10:09:21,839 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19 2025-08-31T10:09:21,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01 2025-08-31T10:09:21,842 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01 2025-08-31T10:09:21,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B 2025-08-31T10:09:21,846 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B 2025-08-31T10:09:21,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A 2025-08-31T10:09:21,850 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A 2025-08-31T10:09:21,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A 2025-08-31T10:09:21,853 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A 2025-08-31T10:09:21,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31 2025-08-31T10:09:21,856 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31 2025-08-31T10:09:21,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45 2025-08-31T10:09:21,860 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45 2025-08-31T10:09:21,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B 2025-08-31T10:09:21,864 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B 2025-08-31T10:09:21,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50 2025-08-31T10:09:21,867 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50 2025-08-31T10:09:21,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B 2025-08-31T10:09:21,871 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B 2025-08-31T10:09:21,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26 2025-08-31T10:09:21,874 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26 2025-08-31T10:09:21,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A 2025-08-31T10:09:21,878 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A 2025-08-31T10:09:21,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B 2025-08-31T10:09:21,881 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B 2025-08-31T10:09:21,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B 2025-08-31T10:09:21,885 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B 2025-08-31T10:09:21,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46 2025-08-31T10:09:21,889 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46 2025-08-31T10:09:21,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A 2025-08-31T10:09:21,892 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A 2025-08-31T10:09:21,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03 2025-08-31T10:09:21,896 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03 2025-08-31T10:09:21,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B 2025-08-31T10:09:21,900 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B 2025-08-31T10:09:21,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B 2025-08-31T10:09:21,904 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B 2025-08-31T10:09:21,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20 2025-08-31T10:09:21,908 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20 2025-08-31T10:09:21,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B 2025-08-31T10:09:21,911 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B 2025-08-31T10:09:21,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B 2025-08-31T10:09:21,916 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B 2025-08-31T10:09:21,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B 2025-08-31T10:09:21,919 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B 2025-08-31T10:09:21,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43 2025-08-31T10:09:21,923 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43 2025-08-31T10:09:21,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B 2025-08-31T10:09:21,927 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B 2025-08-31T10:09:21,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44 2025-08-31T10:09:21,931 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44 2025-08-31T10:09:21,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A 2025-08-31T10:09:21,935 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A 2025-08-31T10:09:21,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A 2025-08-31T10:09:21,939 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A 2025-08-31T10:09:21,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A 2025-08-31T10:09:21,943 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A 2025-08-31T10:09:21,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A 2025-08-31T10:09:21,947 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A 2025-08-31T10:09:21,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A 2025-08-31T10:09:21,952 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A 2025-08-31T10:09:21,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A 2025-08-31T10:09:21,956 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A 2025-08-31T10:09:21,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A 2025-08-31T10:09:21,960 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A 2025-08-31T10:09:21,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B 2025-08-31T10:09:21,965 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B 2025-08-31T10:09:21,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B 2025-08-31T10:09:21,969 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B 2025-08-31T10:09:21,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A 2025-08-31T10:09:21,973 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A 2025-08-31T10:09:21,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B 2025-08-31T10:09:21,978 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B 2025-08-31T10:09:21,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A 2025-08-31T10:09:21,981 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A 2025-08-31T10:09:21,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B 2025-08-31T10:09:21,986 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B 2025-08-31T10:09:21,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33 2025-08-31T10:09:21,990 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33 2025-08-31T10:09:21,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12 2025-08-31T10:09:21,994 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12 2025-08-31T10:09:21,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53 2025-08-31T10:09:21,998 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53 2025-08-31T10:09:22,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A 2025-08-31T10:09:22,002 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A 2025-08-31T10:09:22,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17 2025-08-31T10:09:22,006 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17 2025-08-31T10:09:22,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55 2025-08-31T10:09:22,011 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55 2025-08-31T10:09:22,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B 2025-08-31T10:09:22,015 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B 2025-08-31T10:09:22,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35 2025-08-31T10:09:22,019 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35 2025-08-31T10:09:22,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A 2025-08-31T10:09:22,024 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A 2025-08-31T10:09:22,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B 2025-08-31T10:09:22,028 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B 2025-08-31T10:09:22,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B 2025-08-31T10:09:22,032 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B 2025-08-31T10:09:22,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A 2025-08-31T10:09:22,037 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A 2025-08-31T10:09:22,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B 2025-08-31T10:09:22,041 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B 2025-08-31T10:09:22,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51 2025-08-31T10:09:22,045 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51 2025-08-31T10:09:22,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A 2025-08-31T10:09:22,049 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A 2025-08-31T10:09:22,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B 2025-08-31T10:09:22,053 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B 2025-08-31T10:09:22,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A 2025-08-31T10:09:22,057 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A 2025-08-31T10:09:22,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39 2025-08-31T10:09:22,062 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39 2025-08-31T10:09:22,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49 2025-08-31T10:09:22,066 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49 2025-08-31T10:09:22,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A 2025-08-31T10:09:22,070 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A 2025-08-31T10:09:22,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A 2025-08-31T10:09:22,074 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A 2025-08-31T10:09:22,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05 2025-08-31T10:09:22,078 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05 2025-08-31T10:09:22,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B 2025-08-31T10:09:22,082 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B 2025-08-31T10:09:22,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B 2025-08-31T10:09:22,086 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B 2025-08-31T10:09:22,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B 2025-08-31T10:09:22,091 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B 2025-08-31T10:09:22,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B 2025-08-31T10:09:22,095 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B 2025-08-31T10:09:22,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48 2025-08-31T10:09:22,099 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48 2025-08-31T10:09:22,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63 2025-08-31T10:09:22,104 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63 2025-08-31T10:09:22,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B 2025-08-31T10:09:22,108 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B 2025-08-31T10:09:22,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07 2025-08-31T10:09:22,112 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07 2025-08-31T10:09:22,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B 2025-08-31T10:09:22,117 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B 2025-08-31T10:09:22,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62 2025-08-31T10:09:22,121 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62 2025-08-31T10:09:22,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A 2025-08-31T10:09:22,126 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A 2025-08-31T10:09:22,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B 2025-08-31T10:09:22,130 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B 2025-08-31T10:09:22,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A 2025-08-31T10:09:22,135 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A 2025-08-31T10:09:22,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A 2025-08-31T10:09:22,139 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A 2025-08-31T10:09:22,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A 2025-08-31T10:09:22,144 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A 2025-08-31T10:09:22,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11 2025-08-31T10:09:22,151 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11 2025-08-31T10:09:22,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A 2025-08-31T10:09:22,159 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A 2025-08-31T10:09:22,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27 2025-08-31T10:09:22,163 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27 2025-08-31T10:09:22,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13 2025-08-31T10:09:22,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip 2025-08-31T10:09:22,170 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip 2025-08-31T10:09:22,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add 2025-08-31T10:09:22,174 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add 2025-08-31T10:09:22,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl 2025-08-31T10:09:22,178 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl 2025-08-31T10:09:22,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb 2025-08-31T10:09:22,182 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb 2025-08-31T10:09:22,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2 2025-08-31T10:09:22,186 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2 2025-08-31T10:09:22,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2 2025-08-31T10:09:22,190 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2 2025-08-31T10:09:22,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8 2025-08-31T10:09:22,197 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8 2025-08-31T10:09:22,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35 2025-08-31T10:09:22,205 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35 2025-08-31T10:09:22,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene 2025-08-31T10:09:22,214 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene 2025-08-31T10:09:22,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be 2025-08-31T10:09:22,220 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be 2025-08-31T10:09:22,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1 2025-08-31T10:09:22,224 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1 2025-08-31T10:09:22,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen 2025-08-31T10:09:22,227 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen 2025-08-31T10:09:22,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3 2025-08-31T10:09:22,230 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3 2025-08-31T10:09:22,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6 2025-08-31T10:09:22,234 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6 2025-08-31T10:09:22,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2 2025-08-31T10:09:22,237 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2 2025-08-31T10:09:22,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4 2025-08-31T10:09:22,240 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4 2025-08-31T10:09:22,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4 2025-08-31T10:09:22,244 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4 2025-08-31T10:09:22,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2 2025-08-31T10:09:22,247 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2 2025-08-31T10:09:22,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6 2025-08-31T10:09:22,250 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6 2025-08-31T10:09:22,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35 2025-08-31T10:09:22,254 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35 2025-08-31T10:09:22,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen 2025-08-31T10:09:22,257 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen 2025-08-31T10:09:22,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2 2025-08-31T10:09:22,260 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2 2025-08-31T10:09:22,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne 2025-08-31T10:09:22,264 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne 2025-08-31T10:09:22,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36 2025-08-31T10:09:22,267 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36 2025-08-31T10:09:22,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36 2025-08-31T10:09:22,271 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36 2025-08-31T10:09:22,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add 2025-08-31T10:09:22,274 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add 2025-08-31T10:09:22,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage 2025-08-31T10:09:22,278 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage 2025-08-31T10:09:22,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1 2025-08-31T10:09:22,281 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1 2025-08-31T10:09:22,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL 2025-08-31T10:09:22,285 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL 2025-08-31T10:09:22,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41 2025-08-31T10:09:22,288 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41 2025-08-31T10:09:22,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,293 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,295 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALK8.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,297 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,298 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AL2X6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,300 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,302 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,303 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,305 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,307 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,308 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,310 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,312 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CARBHB12.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,314 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,316 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,317 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,319 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,321 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,323 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,324 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,326 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,328 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RC21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,329 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,331 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DC13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,333 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,335 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,336 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ADIM6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,338 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,339 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,341 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,343 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,345 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,346 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,348 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,350 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,351 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,353 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,355 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2025-08-31T10:09:22,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES 2025-08-31T10:09:22,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6 2025-08-31T10:09:22,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3 2025-08-31T10:09:22,363 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3 2025-08-31T10:09:22,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6 2025-08-31T10:09:22,366 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6 2025-08-31T10:09:22,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2 2025-08-31T10:09:22,369 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2 2025-08-31T10:09:22,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6 2025-08-31T10:09:22,373 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6 2025-08-31T10:09:22,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6 2025-08-31T10:09:22,376 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6 2025-08-31T10:09:22,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3 2025-08-31T10:09:22,379 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3 2025-08-31T10:09:22,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6 2025-08-31T10:09:22,383 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6 2025-08-31T10:09:22,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4 2025-08-31T10:09:22,386 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4 2025-08-31T10:09:22,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5 2025-08-31T10:09:22,389 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5 2025-08-31T10:09:22,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3 2025-08-31T10:09:22,393 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3 2025-08-31T10:09:22,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3 2025-08-31T10:09:22,396 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3 2025-08-31T10:09:22,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP 2025-08-31T10:09:22,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137 2025-08-31T10:09:22,402 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137 2025-08-31T10:09:22,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+ 2025-08-31T10:09:22,405 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+ 2025-08-31T10:09:22,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+ 2025-08-31T10:09:22,409 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+ 2025-08-31T10:09:22,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74 2025-08-31T10:09:22,412 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74 2025-08-31T10:09:22,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71 2025-08-31T10:09:22,415 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71 2025-08-31T10:09:22,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79 2025-08-31T10:09:22,418 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79 2025-08-31T10:09:22,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80 2025-08-31T10:09:22,421 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80 2025-08-31T10:09:22,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p 2025-08-31T10:09:22,425 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p 2025-08-31T10:09:22,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8 2025-08-31T10:09:22,428 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8 2025-08-31T10:09:22,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76 2025-08-31T10:09:22,432 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76 2025-08-31T10:09:22,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30 2025-08-31T10:09:22,435 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30 2025-08-31T10:09:22,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al 2025-08-31T10:09:22,438 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al 2025-08-31T10:09:22,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+ 2025-08-31T10:09:22,442 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+ 2025-08-31T10:09:22,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c 2025-08-31T10:09:22,445 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c 2025-08-31T10:09:22,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be 2025-08-31T10:09:22,448 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be 2025-08-31T10:09:22,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+ 2025-08-31T10:09:22,452 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+ 2025-08-31T10:09:22,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n 2025-08-31T10:09:22,455 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n 2025-08-31T10:09:22,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+ 2025-08-31T10:09:22,458 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+ 2025-08-31T10:09:22,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64 2025-08-31T10:09:22,462 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64 2025-08-31T10:09:22,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34 2025-08-31T10:09:22,465 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34 2025-08-31T10:09:22,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s 2025-08-31T10:09:22,468 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s 2025-08-31T10:09:22,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+ 2025-08-31T10:09:22,471 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+ 2025-08-31T10:09:22,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75 2025-08-31T10:09:22,474 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75 2025-08-31T10:09:22,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59 2025-08-31T10:09:22,478 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59 2025-08-31T10:09:22,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73 2025-08-31T10:09:22,481 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73 2025-08-31T10:09:22,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22 2025-08-31T10:09:22,484 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22 2025-08-31T10:09:22,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18 2025-08-31T10:09:22,488 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18 2025-08-31T10:09:22,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37 2025-08-31T10:09:22,491 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37 2025-08-31T10:09:22,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+ 2025-08-31T10:09:22,495 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+ 2025-08-31T10:09:22,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72 2025-08-31T10:09:22,498 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72 2025-08-31T10:09:22,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67 2025-08-31T10:09:22,502 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67 2025-08-31T10:09:22,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68 2025-08-31T10:09:22,505 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68 2025-08-31T10:09:22,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+ 2025-08-31T10:09:22,508 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+ 2025-08-31T10:09:22,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o 2025-08-31T10:09:22,511 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o 2025-08-31T10:09:22,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13 2025-08-31T10:09:22,515 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13 2025-08-31T10:09:22,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25 2025-08-31T10:09:22,518 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25 2025-08-31T10:09:22,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77 2025-08-31T10:09:22,521 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77 2025-08-31T10:09:22,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14 2025-08-31T10:09:22,525 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14 2025-08-31T10:09:22,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg 2025-08-31T10:09:22,528 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg 2025-08-31T10:09:22,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19 2025-08-31T10:09:22,531 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19 2025-08-31T10:09:22,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+ 2025-08-31T10:09:22,535 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+ 2025-08-31T10:09:22,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60 2025-08-31T10:09:22,538 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60 2025-08-31T10:09:22,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+ 2025-08-31T10:09:22,541 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+ 2025-08-31T10:09:22,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45 2025-08-31T10:09:22,545 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45 2025-08-31T10:09:22,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26 2025-08-31T10:09:22,548 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26 2025-08-31T10:09:22,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl 2025-08-31T10:09:22,551 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl 2025-08-31T10:09:22,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78 2025-08-31T10:09:22,554 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78 2025-08-31T10:09:22,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b 2025-08-31T10:09:22,558 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b 2025-08-31T10:09:22,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li 2025-08-31T10:09:22,561 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li 2025-08-31T10:09:22,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20 2025-08-31T10:09:22,564 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20 2025-08-31T10:09:22,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66 2025-08-31T10:09:22,567 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66 2025-08-31T10:09:22,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43 2025-08-31T10:09:22,571 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43 2025-08-31T10:09:22,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44 2025-08-31T10:09:22,574 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44 2025-08-31T10:09:22,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62 2025-08-31T10:09:22,577 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62 2025-08-31T10:09:22,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h 2025-08-31T10:09:22,581 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h 2025-08-31T10:09:22,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+ 2025-08-31T10:09:22,584 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+ 2025-08-31T10:09:22,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na 2025-08-31T10:09:22,587 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na 2025-08-31T10:09:22,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65 2025-08-31T10:09:22,591 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65 2025-08-31T10:09:22,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+ 2025-08-31T10:09:22,594 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+ 2025-08-31T10:09:22,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61 2025-08-31T10:09:22,598 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61 2025-08-31T10:09:22,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si 2025-08-31T10:09:22,601 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si 2025-08-31T10:09:22,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12 2025-08-31T10:09:22,605 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12 2025-08-31T10:09:22,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63 2025-08-31T10:09:22,608 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63 2025-08-31T10:09:22,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70 2025-08-31T10:09:22,612 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70 2025-08-31T10:09:22,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51 2025-08-31T10:09:22,615 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51 2025-08-31T10:09:22,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f 2025-08-31T10:09:22,618 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f 2025-08-31T10:09:22,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+ 2025-08-31T10:09:22,622 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+ 2025-08-31T10:09:22,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48 2025-08-31T10:09:22,625 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48 2025-08-31T10:09:22,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65 2025-08-31T10:09:22,629 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65 2025-08-31T10:09:22,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11 2025-08-31T10:09:22,632 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11 2025-08-31T10:09:22,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+ 2025-08-31T10:09:22,635 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+ 2025-08-31T10:09:22,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27 2025-08-31T10:09:22,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans 2025-08-31T10:09:22,641 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans 2025-08-31T10:09:22,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180 2025-08-31T10:09:22,644 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180 2025-08-31T10:09:22,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans 2025-08-31T10:09:22,648 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans 2025-08-31T10:09:22,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120 2025-08-31T10:09:22,652 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120 2025-08-31T10:09:22,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis 2025-08-31T10:09:22,656 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis 2025-08-31T10:09:22,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2 2025-08-31T10:09:22,660 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2 2025-08-31T10:09:22,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2 2025-08-31T10:09:22,664 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2 2025-08-31T10:09:22,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn 2025-08-31T10:09:22,667 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn 2025-08-31T10:09:22,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis 2025-08-31T10:09:22,671 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis 2025-08-31T10:09:22,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis 2025-08-31T10:09:22,674 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis 2025-08-31T10:09:22,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2 2025-08-31T10:09:22,678 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2 2025-08-31T10:09:22,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1 2025-08-31T10:09:22,681 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1 2025-08-31T10:09:22,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS 2025-08-31T10:09:22,685 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS 2025-08-31T10:09:22,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti 2025-08-31T10:09:22,689 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti 2025-08-31T10:09:22,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl 2025-08-31T10:09:22,693 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl 2025-08-31T10:09:22,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2 2025-08-31T10:09:22,697 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2 2025-08-31T10:09:22,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180 2025-08-31T10:09:22,701 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180 2025-08-31T10:09:22,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st 2025-08-31T10:09:22,706 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st 2025-08-31T10:09:22,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0 2025-08-31T10:09:22,710 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0 2025-08-31T10:09:22,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1 2025-08-31T10:09:22,714 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1 2025-08-31T10:09:22,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0 2025-08-31T10:09:22,718 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0 2025-08-31T10:09:22,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans 2025-08-31T10:09:22,721 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans 2025-08-31T10:09:22,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn 2025-08-31T10:09:22,724 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn 2025-08-31T10:09:22,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl 2025-08-31T10:09:22,728 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl 2025-08-31T10:09:22,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1 2025-08-31T10:09:22,731 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1 2025-08-31T10:09:22,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2 2025-08-31T10:09:22,735 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2 2025-08-31T10:09:22,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1 2025-08-31T10:09:22,738 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1 2025-08-31T10:09:22,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS 2025-08-31T10:09:22,742 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS 2025-08-31T10:09:22,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl 2025-08-31T10:09:22,745 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl 2025-08-31T10:09:22,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2 2025-08-31T10:09:22,749 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2 2025-08-31T10:09:22,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1 2025-08-31T10:09:22,752 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1 2025-08-31T10:09:22,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st 2025-08-31T10:09:22,755 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st 2025-08-31T10:09:22,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl 2025-08-31T10:09:22,758 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl 2025-08-31T10:09:22,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl 2025-08-31T10:09:22,762 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl 2025-08-31T10:09:22,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st 2025-08-31T10:09:22,765 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st 2025-08-31T10:09:22,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti 2025-08-31T10:09:22,768 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti 2025-08-31T10:09:22,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS 2025-08-31T10:09:22,772 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS 2025-08-31T10:09:22,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC 2025-08-31T10:09:22,775 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC 2025-08-31T10:09:22,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS 2025-08-31T10:09:22,778 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS 2025-08-31T10:09:22,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60 2025-08-31T10:09:22,782 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60 2025-08-31T10:09:22,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23 2025-08-31T10:09:22,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a 2025-08-31T10:09:22,787 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a 2025-08-31T10:09:22,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a 2025-08-31T10:09:22,791 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a 2025-08-31T10:09:22,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23 2025-08-31T10:09:22,794 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23 2025-08-31T10:09:22,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4 2025-08-31T10:09:22,797 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4 2025-08-31T10:09:22,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a 2025-08-31T10:09:22,800 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a 2025-08-31T10:09:22,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a 2025-08-31T10:09:22,803 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a 2025-08-31T10:09:22,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b 2025-08-31T10:09:22,807 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b 2025-08-31T10:09:22,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8 2025-08-31T10:09:22,810 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8 2025-08-31T10:09:22,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b 2025-08-31T10:09:22,813 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b 2025-08-31T10:09:22,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b 2025-08-31T10:09:22,817 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b 2025-08-31T10:09:22,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b 2025-08-31T10:09:22,820 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b 2025-08-31T10:09:22,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3 2025-08-31T10:09:22,823 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3 2025-08-31T10:09:22,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a 2025-08-31T10:09:22,827 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a 2025-08-31T10:09:22,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a 2025-08-31T10:09:22,830 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a 2025-08-31T10:09:22,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b 2025-08-31T10:09:22,833 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b 2025-08-31T10:09:22,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a 2025-08-31T10:09:22,836 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a 2025-08-31T10:09:22,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b 2025-08-31T10:09:22,840 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b 2025-08-31T10:09:22,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10 2025-08-31T10:09:22,843 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10 2025-08-31T10:09:22,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b 2025-08-31T10:09:22,846 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b 2025-08-31T10:09:22,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b 2025-08-31T10:09:22,850 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b 2025-08-31T10:09:22,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a 2025-08-31T10:09:22,853 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a 2025-08-31T10:09:22,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a 2025-08-31T10:09:22,856 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a 2025-08-31T10:09:22,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a 2025-08-31T10:09:22,859 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a 2025-08-31T10:09:22,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a 2025-08-31T10:09:22,863 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a 2025-08-31T10:09:22,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22 2025-08-31T10:09:22,866 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22 2025-08-31T10:09:22,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18 2025-08-31T10:09:22,869 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18 2025-08-31T10:09:22,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16 2025-08-31T10:09:22,873 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16 2025-08-31T10:09:22,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7 2025-08-31T10:09:22,876 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7 2025-08-31T10:09:22,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a 2025-08-31T10:09:22,879 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a 2025-08-31T10:09:22,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21 2025-08-31T10:09:22,882 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21 2025-08-31T10:09:22,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b 2025-08-31T10:09:22,886 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b 2025-08-31T10:09:22,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13 2025-08-31T10:09:22,889 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13 2025-08-31T10:09:22,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a 2025-08-31T10:09:22,893 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a 2025-08-31T10:09:22,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6 2025-08-31T10:09:22,896 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6 2025-08-31T10:09:22,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a 2025-08-31T10:09:22,899 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a 2025-08-31T10:09:22,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a 2025-08-31T10:09:22,902 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a 2025-08-31T10:09:22,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14 2025-08-31T10:09:22,906 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14 2025-08-31T10:09:22,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a 2025-08-31T10:09:22,909 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a 2025-08-31T10:09:22,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a 2025-08-31T10:09:22,912 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a 2025-08-31T10:09:22,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1 2025-08-31T10:09:22,916 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1 2025-08-31T10:09:22,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15 2025-08-31T10:09:22,919 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15 2025-08-31T10:09:22,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19 2025-08-31T10:09:22,923 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19 2025-08-31T10:09:22,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b 2025-08-31T10:09:22,926 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b 2025-08-31T10:09:22,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b 2025-08-31T10:09:22,929 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b 2025-08-31T10:09:22,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b 2025-08-31T10:09:22,933 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b 2025-08-31T10:09:22,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2 2025-08-31T10:09:22,936 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2 2025-08-31T10:09:22,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20 2025-08-31T10:09:22,939 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20 2025-08-31T10:09:22,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b 2025-08-31T10:09:22,943 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b 2025-08-31T10:09:22,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5 2025-08-31T10:09:22,946 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5 2025-08-31T10:09:22,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b 2025-08-31T10:09:22,949 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b 2025-08-31T10:09:22,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b 2025-08-31T10:09:22,952 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b 2025-08-31T10:09:22,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b 2025-08-31T10:09:22,955 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b 2025-08-31T10:09:22,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b 2025-08-31T10:09:22,959 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b 2025-08-31T10:09:22,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b 2025-08-31T10:09:22,962 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b 2025-08-31T10:09:22,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12 2025-08-31T10:09:22,966 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12 2025-08-31T10:09:22,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b 2025-08-31T10:09:22,969 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b 2025-08-31T10:09:22,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17 2025-08-31T10:09:22,972 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17 2025-08-31T10:09:22,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9 2025-08-31T10:09:22,975 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9 2025-08-31T10:09:22,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a 2025-08-31T10:09:22,979 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a 2025-08-31T10:09:22,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b 2025-08-31T10:09:22,982 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b 2025-08-31T10:09:22,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a 2025-08-31T10:09:22,985 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a 2025-08-31T10:09:22,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b 2025-08-31T10:09:22,988 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b 2025-08-31T10:09:22,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b 2025-08-31T10:09:22,992 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b 2025-08-31T10:09:22,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a 2025-08-31T10:09:22,995 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a 2025-08-31T10:09:22,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a 2025-08-31T10:09:22,998 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a 2025-08-31T10:09:23,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b 2025-08-31T10:09:23,001 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b 2025-08-31T10:09:23,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a 2025-08-31T10:09:23,004 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a 2025-08-31T10:09:23,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a 2025-08-31T10:09:23,008 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a 2025-08-31T10:09:23,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11 2025-08-31T10:09:23,011 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11 2025-08-31T10:09:23,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10 2025-08-31T10:09:23,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1 2025-08-31T10:09:23,016 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1 2025-08-31T10:09:23,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3 2025-08-31T10:09:23,020 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3 2025-08-31T10:09:23,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4 2025-08-31T10:09:23,023 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4 2025-08-31T10:09:23,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1 2025-08-31T10:09:23,026 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1 2025-08-31T10:09:23,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3 2025-08-31T10:09:23,030 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3 2025-08-31T10:09:23,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10 2025-08-31T10:09:23,033 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10 2025-08-31T10:09:23,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10 2025-08-31T10:09:23,036 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10 2025-08-31T10:09:23,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9 2025-08-31T10:09:23,039 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9 2025-08-31T10:09:23,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9 2025-08-31T10:09:23,043 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9 2025-08-31T10:09:23,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8 2025-08-31T10:09:23,046 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8 2025-08-31T10:09:23,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5 2025-08-31T10:09:23,049 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5 2025-08-31T10:09:23,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5 2025-08-31T10:09:23,052 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5 2025-08-31T10:09:23,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2 2025-08-31T10:09:23,055 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2 2025-08-31T10:09:23,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7 2025-08-31T10:09:23,059 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7 2025-08-31T10:09:23,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4 2025-08-31T10:09:23,062 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4 2025-08-31T10:09:23,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6 2025-08-31T10:09:23,065 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6 2025-08-31T10:09:23,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6 2025-08-31T10:09:23,069 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6 2025-08-31T10:09:23,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8 2025-08-31T10:09:23,072 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8 2025-08-31T10:09:23,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2 2025-08-31T10:09:23,075 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2 2025-08-31T10:09:23,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7 2025-08-31T10:09:23,079 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7 2025-08-31T10:09:23,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22 2025-08-31T10:09:23,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02 2025-08-31T10:09:23,084 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/02 2025-08-31T10:09:23,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a 2025-08-31T10:09:23,087 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a 2025-08-31T10:09:23,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a 2025-08-31T10:09:23,091 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a 2025-08-31T10:09:23,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08 2025-08-31T10:09:23,094 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/08 2025-08-31T10:09:23,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a 2025-08-31T10:09:23,097 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a 2025-08-31T10:09:23,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b 2025-08-31T10:09:23,101 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b 2025-08-31T10:09:23,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b 2025-08-31T10:09:23,104 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b 2025-08-31T10:09:23,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a 2025-08-31T10:09:23,107 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a 2025-08-31T10:09:23,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b 2025-08-31T10:09:23,111 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b 2025-08-31T10:09:23,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a 2025-08-31T10:09:23,114 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a 2025-08-31T10:09:23,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06 2025-08-31T10:09:23,117 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/06 2025-08-31T10:09:23,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a 2025-08-31T10:09:23,121 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a 2025-08-31T10:09:23,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10 2025-08-31T10:09:23,124 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/10 2025-08-31T10:09:23,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a 2025-08-31T10:09:23,128 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a 2025-08-31T10:09:23,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a 2025-08-31T10:09:23,131 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a 2025-08-31T10:09:23,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b 2025-08-31T10:09:23,134 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b 2025-08-31T10:09:23,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a 2025-08-31T10:09:23,137 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a 2025-08-31T10:09:23,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22 2025-08-31T10:09:23,141 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/22 2025-08-31T10:09:23,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18 2025-08-31T10:09:23,144 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/18 2025-08-31T10:09:23,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16 2025-08-31T10:09:23,147 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/16 2025-08-31T10:09:23,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04 2025-08-31T10:09:23,151 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/04 2025-08-31T10:09:23,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a 2025-08-31T10:09:23,154 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a 2025-08-31T10:09:23,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a 2025-08-31T10:09:23,158 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a 2025-08-31T10:09:23,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09 2025-08-31T10:09:23,161 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/09 2025-08-31T10:09:23,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a 2025-08-31T10:09:23,164 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a 2025-08-31T10:09:23,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b 2025-08-31T10:09:23,168 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b 2025-08-31T10:09:23,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21 2025-08-31T10:09:23,171 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/21 2025-08-31T10:09:23,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13 2025-08-31T10:09:23,175 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/13 2025-08-31T10:09:23,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a 2025-08-31T10:09:23,178 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a 2025-08-31T10:09:23,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14 2025-08-31T10:09:23,181 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/14 2025-08-31T10:09:23,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a 2025-08-31T10:09:23,185 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a 2025-08-31T10:09:23,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a 2025-08-31T10:09:23,188 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a 2025-08-31T10:09:23,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15 2025-08-31T10:09:23,191 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/15 2025-08-31T10:09:23,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a 2025-08-31T10:09:23,195 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a 2025-08-31T10:09:23,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19 2025-08-31T10:09:23,198 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/19 2025-08-31T10:09:23,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01 2025-08-31T10:09:23,201 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/01 2025-08-31T10:09:23,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b 2025-08-31T10:09:23,205 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b 2025-08-31T10:09:23,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03 2025-08-31T10:09:23,208 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/03 2025-08-31T10:09:23,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20 2025-08-31T10:09:23,212 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/20 2025-08-31T10:09:23,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b 2025-08-31T10:09:23,215 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b 2025-08-31T10:09:23,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b 2025-08-31T10:09:23,219 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b 2025-08-31T10:09:23,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b 2025-08-31T10:09:23,223 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b 2025-08-31T10:09:23,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b 2025-08-31T10:09:23,226 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b 2025-08-31T10:09:23,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12 2025-08-31T10:09:23,230 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/12 2025-08-31T10:09:23,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b 2025-08-31T10:09:23,233 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b 2025-08-31T10:09:23,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17 2025-08-31T10:09:23,236 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/17 2025-08-31T10:09:23,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a 2025-08-31T10:09:23,240 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a 2025-08-31T10:09:23,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a 2025-08-31T10:09:23,243 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a 2025-08-31T10:09:23,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05 2025-08-31T10:09:23,247 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/05 2025-08-31T10:09:23,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b 2025-08-31T10:09:23,250 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b 2025-08-31T10:09:23,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a 2025-08-31T10:09:23,254 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a 2025-08-31T10:09:23,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b 2025-08-31T10:09:23,257 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b 2025-08-31T10:09:23,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a 2025-08-31T10:09:23,261 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a 2025-08-31T10:09:23,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07 2025-08-31T10:09:23,264 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/07 2025-08-31T10:09:23,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a 2025-08-31T10:09:23,268 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a 2025-08-31T10:09:23,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a 2025-08-31T10:09:23,271 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a 2025-08-31T10:09:23,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11 2025-08-31T10:09:23,274 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/11 2025-08-31T10:09:23,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4 2025-08-31T10:09:23,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab 2025-08-31T10:09:23,281 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab 2025-08-31T10:09:23,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag 2025-08-31T10:09:23,284 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag 2025-08-31T10:09:23,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah 2025-08-31T10:09:23,288 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah 2025-08-31T10:09:23,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad 2025-08-31T10:09:23,291 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad 2025-08-31T10:09:23,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag 2025-08-31T10:09:23,294 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag 2025-08-31T10:09:23,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab 2025-08-31T10:09:23,298 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab 2025-08-31T10:09:23,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf 2025-08-31T10:09:23,301 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf 2025-08-31T10:09:23,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae 2025-08-31T10:09:23,305 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae 2025-08-31T10:09:23,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf 2025-08-31T10:09:23,308 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf 2025-08-31T10:09:23,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay 2025-08-31T10:09:23,312 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay 2025-08-31T10:09:23,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag 2025-08-31T10:09:23,315 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag 2025-08-31T10:09:23,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi 2025-08-31T10:09:23,319 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi 2025-08-31T10:09:23,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav 2025-08-31T10:09:23,322 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav 2025-08-31T10:09:23,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj 2025-08-31T10:09:23,326 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj 2025-08-31T10:09:23,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah 2025-08-31T10:09:23,329 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah 2025-08-31T10:09:23,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan 2025-08-31T10:09:23,333 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan 2025-08-31T10:09:23,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao 2025-08-31T10:09:23,336 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao 2025-08-31T10:09:23,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap 2025-08-31T10:09:23,339 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap 2025-08-31T10:09:23,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf 2025-08-31T10:09:23,343 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf 2025-08-31T10:09:23,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah 2025-08-31T10:09:23,346 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah 2025-08-31T10:09:23,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau 2025-08-31T10:09:23,349 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau 2025-08-31T10:09:23,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab 2025-08-31T10:09:23,353 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab 2025-08-31T10:09:23,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf 2025-08-31T10:09:23,356 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf 2025-08-31T10:09:23,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag 2025-08-31T10:09:23,360 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag 2025-08-31T10:09:23,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan 2025-08-31T10:09:23,363 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan 2025-08-31T10:09:23,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad 2025-08-31T10:09:23,366 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad 2025-08-31T10:09:23,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx 2025-08-31T10:09:23,370 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx 2025-08-31T10:09:23,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq 2025-08-31T10:09:23,373 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq 2025-08-31T10:09:23,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad 2025-08-31T10:09:23,377 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad 2025-08-31T10:09:23,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo 2025-08-31T10:09:23,380 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo 2025-08-31T10:09:23,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac 2025-08-31T10:09:23,383 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac 2025-08-31T10:09:23,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah 2025-08-31T10:09:23,387 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah 2025-08-31T10:09:23,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan 2025-08-31T10:09:23,390 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan 2025-08-31T10:09:23,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar 2025-08-31T10:09:23,393 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar 2025-08-31T10:09:23,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac 2025-08-31T10:09:23,397 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac 2025-08-31T10:09:23,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae 2025-08-31T10:09:23,400 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae 2025-08-31T10:09:23,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal 2025-08-31T10:09:23,404 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal 2025-08-31T10:09:23,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak 2025-08-31T10:09:23,408 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak 2025-08-31T10:09:23,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav 2025-08-31T10:09:23,411 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav 2025-08-31T10:09:23,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar 2025-08-31T10:09:23,415 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar 2025-08-31T10:09:23,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab 2025-08-31T10:09:23,419 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab 2025-08-31T10:09:23,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat 2025-08-31T10:09:23,422 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat 2025-08-31T10:09:23,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab 2025-08-31T10:09:23,425 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab 2025-08-31T10:09:23,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae 2025-08-31T10:09:23,428 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae 2025-08-31T10:09:23,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz 2025-08-31T10:09:23,432 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz 2025-08-31T10:09:23,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak 2025-08-31T10:09:23,435 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak 2025-08-31T10:09:23,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc 2025-08-31T10:09:23,439 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc 2025-08-31T10:09:23,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf 2025-08-31T10:09:23,442 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf 2025-08-31T10:09:23,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah 2025-08-31T10:09:23,446 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah 2025-08-31T10:09:23,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj 2025-08-31T10:09:23,449 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj 2025-08-31T10:09:23,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao 2025-08-31T10:09:23,452 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao 2025-08-31T10:09:23,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad 2025-08-31T10:09:23,456 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad 2025-08-31T10:09:23,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae 2025-08-31T10:09:23,459 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae 2025-08-31T10:09:23,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal 2025-08-31T10:09:23,463 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal 2025-08-31T10:09:23,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb 2025-08-31T10:09:23,466 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb 2025-08-31T10:09:23,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah 2025-08-31T10:09:23,470 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah 2025-08-31T10:09:23,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar 2025-08-31T10:09:23,473 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar 2025-08-31T10:09:23,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap 2025-08-31T10:09:23,477 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap 2025-08-31T10:09:23,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab 2025-08-31T10:09:23,480 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab 2025-08-31T10:09:23,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae 2025-08-31T10:09:23,484 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae 2025-08-31T10:09:23,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah 2025-08-31T10:09:23,487 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah 2025-08-31T10:09:23,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab 2025-08-31T10:09:23,490 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab 2025-08-31T10:09:23,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau 2025-08-31T10:09:23,494 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau 2025-08-31T10:09:23,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci 2025-08-31T10:09:23,497 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci 2025-08-31T10:09:23,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag 2025-08-31T10:09:23,501 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag 2025-08-31T10:09:23,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag 2025-08-31T10:09:23,504 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag 2025-08-31T10:09:23,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag 2025-08-31T10:09:23,507 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag 2025-08-31T10:09:23,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam 2025-08-31T10:09:23,511 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam 2025-08-31T10:09:23,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv 2025-08-31T10:09:23,514 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv 2025-08-31T10:09:23,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak 2025-08-31T10:09:23,518 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak 2025-08-31T10:09:23,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai 2025-08-31T10:09:23,521 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai 2025-08-31T10:09:23,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas 2025-08-31T10:09:23,525 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas 2025-08-31T10:09:23,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal 2025-08-31T10:09:23,528 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal 2025-08-31T10:09:23,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq 2025-08-31T10:09:23,532 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq 2025-08-31T10:09:23,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav 2025-08-31T10:09:23,535 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav 2025-08-31T10:09:23,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac 2025-08-31T10:09:23,539 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac 2025-08-31T10:09:23,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar 2025-08-31T10:09:23,542 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar 2025-08-31T10:09:23,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao 2025-08-31T10:09:23,546 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao 2025-08-31T10:09:23,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag 2025-08-31T10:09:23,549 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag 2025-08-31T10:09:23,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac 2025-08-31T10:09:23,553 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac 2025-08-31T10:09:23,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat 2025-08-31T10:09:23,556 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat 2025-08-31T10:09:23,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai 2025-08-31T10:09:23,560 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai 2025-08-31T10:09:23,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq 2025-08-31T10:09:23,563 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq 2025-08-31T10:09:23,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal 2025-08-31T10:09:23,566 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal 2025-08-31T10:09:23,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad 2025-08-31T10:09:23,570 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad 2025-08-31T10:09:23,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq 2025-08-31T10:09:23,573 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq 2025-08-31T10:09:23,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah 2025-08-31T10:09:23,576 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah 2025-08-31T10:09:23,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby 2025-08-31T10:09:23,580 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby 2025-08-31T10:09:23,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw 2025-08-31T10:09:23,583 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw 2025-08-31T10:09:23,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm 2025-08-31T10:09:23,587 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm 2025-08-31T10:09:23,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj 2025-08-31T10:09:23,590 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj 2025-08-31T10:09:23,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak 2025-08-31T10:09:23,594 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak 2025-08-31T10:09:23,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf 2025-08-31T10:09:23,597 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf 2025-08-31T10:09:23,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap 2025-08-31T10:09:23,601 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap 2025-08-31T10:09:23,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal 2025-08-31T10:09:23,605 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal 2025-08-31T10:09:23,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai 2025-08-31T10:09:23,609 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai 2025-08-31T10:09:23,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad 2025-08-31T10:09:23,614 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad 2025-08-31T10:09:23,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan 2025-08-31T10:09:23,618 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan 2025-08-31T10:09:23,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak 2025-08-31T10:09:23,622 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak 2025-08-31T10:09:23,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad 2025-08-31T10:09:23,626 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad 2025-08-31T10:09:23,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34 2025-08-31T10:09:23,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5 2025-08-31T10:09:23,634 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5 2025-08-31T10:09:23,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29 2025-08-31T10:09:23,638 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29 2025-08-31T10:09:23,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1 2025-08-31T10:09:23,642 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1 2025-08-31T10:09:23,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13 2025-08-31T10:09:23,646 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13 2025-08-31T10:09:23,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17 2025-08-31T10:09:23,650 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17 2025-08-31T10:09:23,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18 2025-08-31T10:09:23,655 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18 2025-08-31T10:09:23,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17 2025-08-31T10:09:23,659 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17 2025-08-31T10:09:23,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15 2025-08-31T10:09:23,663 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15 2025-08-31T10:09:23,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32 2025-08-31T10:09:23,667 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32 2025-08-31T10:09:23,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12 2025-08-31T10:09:23,672 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12 2025-08-31T10:09:23,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28 2025-08-31T10:09:23,675 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28 2025-08-31T10:09:23,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33 2025-08-31T10:09:23,679 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33 2025-08-31T10:09:23,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18 2025-08-31T10:09:23,684 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18 2025-08-31T10:09:23,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7 2025-08-31T10:09:23,688 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7 2025-08-31T10:09:23,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20 2025-08-31T10:09:23,693 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20 2025-08-31T10:09:23,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14 2025-08-31T10:09:23,697 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14 2025-08-31T10:09:23,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25 2025-08-31T10:09:23,701 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25 2025-08-31T10:09:23,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23 2025-08-31T10:09:23,704 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23 2025-08-31T10:09:23,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8 2025-08-31T10:09:23,708 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8 2025-08-31T10:09:23,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3 2025-08-31T10:09:23,711 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3 2025-08-31T10:09:23,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4 2025-08-31T10:09:23,715 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4 2025-08-31T10:09:23,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7 2025-08-31T10:09:23,719 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7 2025-08-31T10:09:23,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19 2025-08-31T10:09:23,724 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19 2025-08-31T10:09:23,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27 2025-08-31T10:09:23,727 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27 2025-08-31T10:09:23,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30 2025-08-31T10:09:23,730 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30 2025-08-31T10:09:23,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33 2025-08-31T10:09:23,733 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33 2025-08-31T10:09:23,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9 2025-08-31T10:09:23,736 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9 2025-08-31T10:09:23,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27 2025-08-31T10:09:23,740 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27 2025-08-31T10:09:23,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25 2025-08-31T10:09:23,743 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25 2025-08-31T10:09:23,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16 2025-08-31T10:09:23,746 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16 2025-08-31T10:09:23,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21 2025-08-31T10:09:23,750 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21 2025-08-31T10:09:23,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12 2025-08-31T10:09:23,753 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12 2025-08-31T10:09:23,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6 2025-08-31T10:09:23,756 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6 2025-08-31T10:09:23,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31 2025-08-31T10:09:23,760 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31 2025-08-31T10:09:23,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4 2025-08-31T10:09:23,763 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4 2025-08-31T10:09:23,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16 2025-08-31T10:09:23,767 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16 2025-08-31T10:09:23,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20 2025-08-31T10:09:23,770 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20 2025-08-31T10:09:23,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13 2025-08-31T10:09:23,773 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13 2025-08-31T10:09:23,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30 2025-08-31T10:09:23,777 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30 2025-08-31T10:09:23,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24 2025-08-31T10:09:23,780 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24 2025-08-31T10:09:23,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34 2025-08-31T10:09:23,783 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34 2025-08-31T10:09:23,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24 2025-08-31T10:09:23,787 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24 2025-08-31T10:09:23,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34 2025-08-31T10:09:23,790 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34 2025-08-31T10:09:23,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31 2025-08-31T10:09:23,794 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31 2025-08-31T10:09:23,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22 2025-08-31T10:09:23,797 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22 2025-08-31T10:09:23,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8 2025-08-31T10:09:23,800 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8 2025-08-31T10:09:23,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23 2025-08-31T10:09:23,804 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23 2025-08-31T10:09:23,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1 2025-08-31T10:09:23,807 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1 2025-08-31T10:09:23,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26 2025-08-31T10:09:23,810 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26 2025-08-31T10:09:23,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10 2025-08-31T10:09:23,814 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10 2025-08-31T10:09:23,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21 2025-08-31T10:09:23,817 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21 2025-08-31T10:09:23,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9 2025-08-31T10:09:23,821 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9 2025-08-31T10:09:23,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14 2025-08-31T10:09:23,824 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14 2025-08-31T10:09:23,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11 2025-08-31T10:09:23,827 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11 2025-08-31T10:09:23,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32 2025-08-31T10:09:23,831 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32 2025-08-31T10:09:23,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15 2025-08-31T10:09:23,834 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15 2025-08-31T10:09:23,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28 2025-08-31T10:09:23,838 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28 2025-08-31T10:09:23,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26 2025-08-31T10:09:23,841 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26 2025-08-31T10:09:23,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29 2025-08-31T10:09:23,845 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29 2025-08-31T10:09:23,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3 2025-08-31T10:09:23,848 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3 2025-08-31T10:09:23,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2 2025-08-31T10:09:23,852 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2 2025-08-31T10:09:23,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10 2025-08-31T10:09:23,855 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10 2025-08-31T10:09:23,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11 2025-08-31T10:09:23,859 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11 2025-08-31T10:09:23,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10 2025-08-31T10:09:23,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2 2025-08-31T10:09:23,864 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2 2025-08-31T10:09:23,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+ 2025-08-31T10:09:23,868 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+ 2025-08-31T10:09:23,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+ 2025-08-31T10:09:23,871 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+ 2025-08-31T10:09:23,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+ 2025-08-31T10:09:23,875 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+ 2025-08-31T10:09:23,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3 2025-08-31T10:09:23,878 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3 2025-08-31T10:09:23,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be 2025-08-31T10:09:23,881 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be 2025-08-31T10:09:23,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4 2025-08-31T10:09:23,884 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4 2025-08-31T10:09:23,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+ 2025-08-31T10:09:23,888 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+ 2025-08-31T10:09:23,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+ 2025-08-31T10:09:23,891 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+ 2025-08-31T10:09:23,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+ 2025-08-31T10:09:23,895 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+ 2025-08-31T10:09:23,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+ 2025-08-31T10:09:23,898 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+ 2025-08-31T10:09:23,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3 2025-08-31T10:09:23,902 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3 2025-08-31T10:09:23,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+ 2025-08-31T10:09:23,905 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+ 2025-08-31T10:09:23,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg 2025-08-31T10:09:23,909 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg 2025-08-31T10:09:23,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s 2025-08-31T10:09:23,912 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s 2025-08-31T10:09:23,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o 2025-08-31T10:09:23,916 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o 2025-08-31T10:09:23,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+ 2025-08-31T10:09:23,920 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+ 2025-08-31T10:09:23,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6 2025-08-31T10:09:23,923 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6 2025-08-31T10:09:23,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+ 2025-08-31T10:09:23,926 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+ 2025-08-31T10:09:23,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4 2025-08-31T10:09:23,929 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4 2025-08-31T10:09:23,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL 2025-08-31T10:09:23,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62 2025-08-31T10:09:23,935 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62 2025-08-31T10:09:23,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24 2025-08-31T10:09:23,938 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24 2025-08-31T10:09:23,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13 2025-08-31T10:09:23,942 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13 2025-08-31T10:09:23,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42 2025-08-31T10:09:23,945 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42 2025-08-31T10:09:23,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63 2025-08-31T10:09:23,949 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63 2025-08-31T10:09:23,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11 2025-08-31T10:09:23,952 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11 2025-08-31T10:09:23,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10 2025-08-31T10:09:23,955 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10 2025-08-31T10:09:23,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27 2025-08-31T10:09:23,959 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27 2025-08-31T10:09:23,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15 2025-08-31T10:09:23,962 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15 2025-08-31T10:09:23,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21 2025-08-31T10:09:23,966 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21 2025-08-31T10:09:23,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56 2025-08-31T10:09:23,969 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56 2025-08-31T10:09:23,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45 2025-08-31T10:09:23,972 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45 2025-08-31T10:09:23,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3 2025-08-31T10:09:23,976 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3 2025-08-31T10:09:23,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64 2025-08-31T10:09:23,979 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64 2025-08-31T10:09:23,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49 2025-08-31T10:09:23,982 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49 2025-08-31T10:09:23,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44 2025-08-31T10:09:23,986 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44 2025-08-31T10:09:23,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32 2025-08-31T10:09:23,989 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32 2025-08-31T10:09:23,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20 2025-08-31T10:09:23,992 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20 2025-08-31T10:09:23,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35 2025-08-31T10:09:23,996 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35 2025-08-31T10:09:23,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40 2025-08-31T10:09:23,999 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40 2025-08-31T10:09:24,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25 2025-08-31T10:09:24,003 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25 2025-08-31T10:09:24,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14 2025-08-31T10:09:24,006 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14 2025-08-31T10:09:24,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29 2025-08-31T10:09:24,010 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29 2025-08-31T10:09:24,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4 2025-08-31T10:09:24,013 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4 2025-08-31T10:09:24,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22 2025-08-31T10:09:24,017 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22 2025-08-31T10:09:24,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16 2025-08-31T10:09:24,020 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16 2025-08-31T10:09:24,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34 2025-08-31T10:09:24,023 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34 2025-08-31T10:09:24,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28 2025-08-31T10:09:24,026 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28 2025-08-31T10:09:24,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2 2025-08-31T10:09:24,030 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2 2025-08-31T10:09:24,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9 2025-08-31T10:09:24,033 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9 2025-08-31T10:09:24,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18 2025-08-31T10:09:24,037 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18 2025-08-31T10:09:24,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19 2025-08-31T10:09:24,040 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19 2025-08-31T10:09:24,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50 2025-08-31T10:09:24,044 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50 2025-08-31T10:09:24,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57 2025-08-31T10:09:24,047 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57 2025-08-31T10:09:24,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41 2025-08-31T10:09:24,051 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41 2025-08-31T10:09:24,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1 2025-08-31T10:09:24,054 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1 2025-08-31T10:09:24,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31 2025-08-31T10:09:24,058 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31 2025-08-31T10:09:24,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38 2025-08-31T10:09:24,061 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38 2025-08-31T10:09:24,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8 2025-08-31T10:09:24,065 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8 2025-08-31T10:09:24,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65 2025-08-31T10:09:24,068 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65 2025-08-31T10:09:24,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12 2025-08-31T10:09:24,072 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12 2025-08-31T10:09:24,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51 2025-08-31T10:09:24,076 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51 2025-08-31T10:09:24,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55 2025-08-31T10:09:24,079 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55 2025-08-31T10:09:24,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17 2025-08-31T10:09:24,083 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17 2025-08-31T10:09:24,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33 2025-08-31T10:09:24,086 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33 2025-08-31T10:09:24,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59 2025-08-31T10:09:24,090 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59 2025-08-31T10:09:24,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37 2025-08-31T10:09:24,093 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37 2025-08-31T10:09:24,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47 2025-08-31T10:09:24,096 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47 2025-08-31T10:09:24,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48 2025-08-31T10:09:24,100 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48 2025-08-31T10:09:24,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53 2025-08-31T10:09:24,103 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53 2025-08-31T10:09:24,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61 2025-08-31T10:09:24,107 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61 2025-08-31T10:09:24,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6 2025-08-31T10:09:24,110 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6 2025-08-31T10:09:24,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39 2025-08-31T10:09:24,114 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39 2025-08-31T10:09:24,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54 2025-08-31T10:09:24,117 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54 2025-08-31T10:09:24,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5 2025-08-31T10:09:24,120 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5 2025-08-31T10:09:24,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60 2025-08-31T10:09:24,124 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60 2025-08-31T10:09:24,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7 2025-08-31T10:09:24,127 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7 2025-08-31T10:09:24,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43 2025-08-31T10:09:24,130 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43 2025-08-31T10:09:24,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26 2025-08-31T10:09:24,134 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26 2025-08-31T10:09:24,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23 2025-08-31T10:09:24,137 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23 2025-08-31T10:09:24,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36 2025-08-31T10:09:24,140 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36 2025-08-31T10:09:24,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58 2025-08-31T10:09:24,144 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58 2025-08-31T10:09:24,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52 2025-08-31T10:09:24,148 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52 2025-08-31T10:09:24,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46 2025-08-31T10:09:24,152 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46 2025-08-31T10:09:24,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30 2025-08-31T10:09:24,155 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30 2025-08-31T10:09:24,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20 2025-08-31T10:09:24,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51 2025-08-31T10:09:24,161 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51 2025-08-31T10:09:24,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49 2025-08-31T10:09:24,164 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49 2025-08-31T10:09:24,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45 2025-08-31T10:09:24,168 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45 2025-08-31T10:09:24,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48 2025-08-31T10:09:24,171 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48 2025-08-31T10:09:24,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46 2025-08-31T10:09:24,175 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46 2025-08-31T10:09:24,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40 2025-08-31T10:09:24,178 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40 2025-08-31T10:09:24,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60 2025-08-31T10:09:24,182 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60 2025-08-31T10:09:24,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40 2025-08-31T10:09:24,185 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40 2025-08-31T10:09:24,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56 2025-08-31T10:09:24,189 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56 2025-08-31T10:09:24,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22 2025-08-31T10:09:24,192 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22 2025-08-31T10:09:24,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49 2025-08-31T10:09:24,195 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49 2025-08-31T10:09:24,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26 2025-08-31T10:09:24,199 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26 2025-08-31T10:09:24,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51 2025-08-31T10:09:24,202 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51 2025-08-31T10:09:24,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44 2025-08-31T10:09:24,206 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44 2025-08-31T10:09:24,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47 2025-08-31T10:09:24,209 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47 2025-08-31T10:09:24,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20 2025-08-31T10:09:24,213 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20 2025-08-31T10:09:24,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25 2025-08-31T10:09:24,216 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25 2025-08-31T10:09:24,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28 2025-08-31T10:09:24,220 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28 2025-08-31T10:09:24,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48 2025-08-31T10:09:24,223 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48 2025-08-31T10:09:24,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56 2025-08-31T10:09:24,227 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56 2025-08-31T10:09:24,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43 2025-08-31T10:09:24,230 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43 2025-08-31T10:09:24,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45 2025-08-31T10:09:24,234 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45 2025-08-31T10:09:24,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46 2025-08-31T10:09:24,237 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46 2025-08-31T10:09:24,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22 2025-08-31T10:09:24,240 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22 2025-08-31T10:09:24,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52 2025-08-31T10:09:24,244 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52 2025-08-31T10:09:24,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44 2025-08-31T10:09:24,247 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44 2025-08-31T10:09:24,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20 2025-08-31T10:09:24,250 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20 2025-08-31T10:09:24,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21 2025-08-31T10:09:24,254 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21 2025-08-31T10:09:24,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26 2025-08-31T10:09:24,257 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26 2025-08-31T10:09:24,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25 2025-08-31T10:09:24,261 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25 2025-08-31T10:09:24,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52 2025-08-31T10:09:24,264 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52 2025-08-31T10:09:24,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47 2025-08-31T10:09:24,268 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47 2025-08-31T10:09:24,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57 2025-08-31T10:09:24,271 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57 2025-08-31T10:09:24,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43 2025-08-31T10:09:24,274 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43 2025-08-31T10:09:24,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29 2025-08-31T10:09:24,278 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29 2025-08-31T10:09:24,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60 2025-08-31T10:09:24,281 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60 2025-08-31T10:09:24,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21 2025-08-31T10:09:24,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e 2025-08-31T10:09:24,287 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e 2025-08-31T10:09:24,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3 2025-08-31T10:09:24,290 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3 2025-08-31T10:09:24,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2 2025-08-31T10:09:24,294 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2 2025-08-31T10:09:24,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1 2025-08-31T10:09:24,297 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1 2025-08-31T10:09:24,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1 2025-08-31T10:09:24,301 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1 2025-08-31T10:09:24,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e 2025-08-31T10:09:24,304 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e 2025-08-31T10:09:24,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p 2025-08-31T10:09:24,308 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p 2025-08-31T10:09:24,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr 2025-08-31T10:09:24,312 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr 2025-08-31T10:09:24,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e 2025-08-31T10:09:24,315 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e 2025-08-31T10:09:24,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e 2025-08-31T10:09:24,319 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e 2025-08-31T10:09:24,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1 2025-08-31T10:09:24,322 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1 2025-08-31T10:09:24,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2 2025-08-31T10:09:24,326 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2 2025-08-31T10:09:24,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2 2025-08-31T10:09:24,329 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2 2025-08-31T10:09:24,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1 2025-08-31T10:09:24,333 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1 2025-08-31T10:09:24,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4 2025-08-31T10:09:24,337 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4 2025-08-31T10:09:24,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1 2025-08-31T10:09:24,340 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1 2025-08-31T10:09:24,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6 2025-08-31T10:09:24,344 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6 2025-08-31T10:09:24,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2 2025-08-31T10:09:24,347 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2 2025-08-31T10:09:24,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p 2025-08-31T10:09:24,351 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p 2025-08-31T10:09:24,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1 2025-08-31T10:09:24,354 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1 2025-08-31T10:09:24,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3 2025-08-31T10:09:24,358 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3 2025-08-31T10:09:24,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene 2025-08-31T10:09:24,361 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene 2025-08-31T10:09:24,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e 2025-08-31T10:09:24,365 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e 2025-08-31T10:09:24,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me 2025-08-31T10:09:24,368 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me 2025-08-31T10:09:24,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2 2025-08-31T10:09:24,372 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2 2025-08-31T10:09:24,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e 2025-08-31T10:09:24,375 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e 2025-08-31T10:09:24,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1 2025-08-31T10:09:24,378 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1 2025-08-31T10:09:24,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1 2025-08-31T10:09:24,381 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1 2025-08-31T10:09:24,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1 2025-08-31T10:09:24,385 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1 2025-08-31T10:09:24,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3 2025-08-31T10:09:24,388 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3 2025-08-31T10:09:24,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e 2025-08-31T10:09:24,392 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e 2025-08-31T10:09:24,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int 2025-08-31T10:09:24,395 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int 2025-08-31T10:09:24,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e 2025-08-31T10:09:24,398 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e 2025-08-31T10:09:24,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2 2025-08-31T10:09:24,402 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2 2025-08-31T10:09:24,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e 2025-08-31T10:09:24,405 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e 2025-08-31T10:09:24,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3 2025-08-31T10:09:24,408 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3 2025-08-31T10:09:24,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3 2025-08-31T10:09:24,412 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3 2025-08-31T10:09:24,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3 2025-08-31T10:09:24,415 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3 2025-08-31T10:09:24,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5 2025-08-31T10:09:24,418 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5 2025-08-31T10:09:24,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2 2025-08-31T10:09:24,422 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2 2025-08-31T10:09:24,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e 2025-08-31T10:09:24,425 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e 2025-08-31T10:09:24,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05 2025-08-31T10:09:24,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl 2025-08-31T10:09:24,433 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl 2025-08-31T10:09:24,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3 2025-08-31T10:09:24,436 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3 2025-08-31T10:09:24,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n 2025-08-31T10:09:24,439 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n 2025-08-31T10:09:24,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2 2025-08-31T10:09:24,443 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2 2025-08-31T10:09:24,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A 2025-08-31T10:09:24,446 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A 2025-08-31T10:09:24,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s 2025-08-31T10:09:24,450 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s 2025-08-31T10:09:24,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5 2025-08-31T10:09:24,453 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5 2025-08-31T10:09:24,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he 2025-08-31T10:09:24,457 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he 2025-08-31T10:09:24,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68 2025-08-31T10:09:24,460 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68 2025-08-31T10:09:24,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74 2025-08-31T10:09:24,463 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74 2025-08-31T10:09:24,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71 2025-08-31T10:09:24,467 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71 2025-08-31T10:09:24,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1 2025-08-31T10:09:24,470 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1 2025-08-31T10:09:24,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans 2025-08-31T10:09:24,473 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans 2025-08-31T10:09:24,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar 2025-08-31T10:09:24,477 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar 2025-08-31T10:09:24,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh 2025-08-31T10:09:24,480 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh 2025-08-31T10:09:24,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80 2025-08-31T10:09:24,484 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80 2025-08-31T10:09:24,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2 2025-08-31T10:09:24,487 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2 2025-08-31T10:09:24,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S 2025-08-31T10:09:24,491 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S 2025-08-31T10:09:24,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts 2025-08-31T10:09:24,494 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts 2025-08-31T10:09:24,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A 2025-08-31T10:09:24,497 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A 2025-08-31T10:09:24,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh 2025-08-31T10:09:24,501 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh 2025-08-31T10:09:24,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc 2025-08-31T10:09:24,505 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc 2025-08-31T10:09:24,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4 2025-08-31T10:09:24,508 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4 2025-08-31T10:09:24,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75 2025-08-31T10:09:24,512 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75 2025-08-31T10:09:24,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1 2025-08-31T10:09:24,515 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1 2025-08-31T10:09:24,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis 2025-08-31T10:09:24,519 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis 2025-08-31T10:09:24,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8 2025-08-31T10:09:24,522 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8 2025-08-31T10:09:24,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76 2025-08-31T10:09:24,525 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76 2025-08-31T10:09:24,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2 2025-08-31T10:09:24,529 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2 2025-08-31T10:09:24,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr 2025-08-31T10:09:24,532 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr 2025-08-31T10:09:24,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2 2025-08-31T10:09:24,535 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2 2025-08-31T10:09:24,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf 2025-08-31T10:09:24,539 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf 2025-08-31T10:09:24,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf 2025-08-31T10:09:24,542 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf 2025-08-31T10:09:24,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al 2025-08-31T10:09:24,545 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al 2025-08-31T10:09:24,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k 2025-08-31T10:09:24,549 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k 2025-08-31T10:09:24,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3 2025-08-31T10:09:24,552 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3 2025-08-31T10:09:24,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c 2025-08-31T10:09:24,556 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c 2025-08-31T10:09:24,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be 2025-08-31T10:09:24,559 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be 2025-08-31T10:09:24,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis 2025-08-31T10:09:24,562 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis 2025-08-31T10:09:24,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p 2025-08-31T10:09:24,565 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p 2025-08-31T10:09:24,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2 2025-08-31T10:09:24,569 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2 2025-08-31T10:09:24,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B 2025-08-31T10:09:24,573 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B 2025-08-31T10:09:24,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+ 2025-08-31T10:09:24,576 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+ 2025-08-31T10:09:24,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar 2025-08-31T10:09:24,579 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar 2025-08-31T10:09:24,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH 2025-08-31T10:09:24,583 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH 2025-08-31T10:09:24,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64 2025-08-31T10:09:24,586 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64 2025-08-31T10:09:24,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2 2025-08-31T10:09:24,590 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2 2025-08-31T10:09:24,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34 2025-08-31T10:09:24,593 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34 2025-08-31T10:09:24,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s 2025-08-31T10:09:24,596 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s 2025-08-31T10:09:24,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco 2025-08-31T10:09:24,600 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco 2025-08-31T10:09:24,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr 2025-08-31T10:09:24,603 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr 2025-08-31T10:09:24,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20 2025-08-31T10:09:24,607 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20 2025-08-31T10:09:24,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73 2025-08-31T10:09:24,611 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73 2025-08-31T10:09:24,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2 2025-08-31T10:09:24,615 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2 2025-08-31T10:09:24,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b 2025-08-31T10:09:24,619 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b 2025-08-31T10:09:24,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf 2025-08-31T10:09:24,622 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf 2025-08-31T10:09:24,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+ 2025-08-31T10:09:24,625 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+ 2025-08-31T10:09:24,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2 2025-08-31T10:09:24,629 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2 2025-08-31T10:09:24,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2 2025-08-31T10:09:24,632 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2 2025-08-31T10:09:24,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a 2025-08-31T10:09:24,635 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a 2025-08-31T10:09:24,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3 2025-08-31T10:09:24,639 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3 2025-08-31T10:09:24,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3 2025-08-31T10:09:24,642 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3 2025-08-31T10:09:24,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+ 2025-08-31T10:09:24,646 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+ 2025-08-31T10:09:24,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f 2025-08-31T10:09:24,649 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f 2025-08-31T10:09:24,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic 2025-08-31T10:09:24,652 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic 2025-08-31T10:09:24,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts 2025-08-31T10:09:24,656 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts 2025-08-31T10:09:24,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18 2025-08-31T10:09:24,660 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18 2025-08-31T10:09:24,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS 2025-08-31T10:09:24,663 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS 2025-08-31T10:09:24,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH 2025-08-31T10:09:24,666 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH 2025-08-31T10:09:24,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59 2025-08-31T10:09:24,670 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59 2025-08-31T10:09:24,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20 2025-08-31T10:09:24,673 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20 2025-08-31T10:09:24,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40 2025-08-31T10:09:24,677 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40 2025-08-31T10:09:24,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2 2025-08-31T10:09:24,680 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2 2025-08-31T10:09:24,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr 2025-08-31T10:09:24,684 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr 2025-08-31T10:09:24,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr 2025-08-31T10:09:24,687 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr 2025-08-31T10:09:24,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47 2025-08-31T10:09:24,691 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47 2025-08-31T10:09:24,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67 2025-08-31T10:09:24,694 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67 2025-08-31T10:09:24,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2 2025-08-31T10:09:24,698 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2 2025-08-31T10:09:24,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o 2025-08-31T10:09:24,701 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o 2025-08-31T10:09:24,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne 2025-08-31T10:09:24,705 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne 2025-08-31T10:09:24,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17 2025-08-31T10:09:24,709 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17 2025-08-31T10:09:24,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13 2025-08-31T10:09:24,712 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13 2025-08-31T10:09:24,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4 2025-08-31T10:09:24,716 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4 2025-08-31T10:09:24,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH 2025-08-31T10:09:24,719 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH 2025-08-31T10:09:24,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12 2025-08-31T10:09:24,723 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12 2025-08-31T10:09:24,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58 2025-08-31T10:09:24,726 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58 2025-08-31T10:09:24,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1 2025-08-31T10:09:24,731 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1 2025-08-31T10:09:24,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3 2025-08-31T10:09:24,735 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3 2025-08-31T10:09:24,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts 2025-08-31T10:09:24,739 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts 2025-08-31T10:09:24,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25 2025-08-31T10:09:24,742 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25 2025-08-31T10:09:24,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+ 2025-08-31T10:09:24,746 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+ 2025-08-31T10:09:24,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4 2025-08-31T10:09:24,749 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4 2025-08-31T10:09:24,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4 2025-08-31T10:09:24,753 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4 2025-08-31T10:09:24,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs 2025-08-31T10:09:24,756 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs 2025-08-31T10:09:24,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn 2025-08-31T10:09:24,760 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn 2025-08-31T10:09:24,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B 2025-08-31T10:09:24,763 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B 2025-08-31T10:09:24,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25 2025-08-31T10:09:24,767 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25 2025-08-31T10:09:24,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6 2025-08-31T10:09:24,770 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6 2025-08-31T10:09:24,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25 2025-08-31T10:09:24,774 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25 2025-08-31T10:09:24,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4 2025-08-31T10:09:24,777 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4 2025-08-31T10:09:24,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B 2025-08-31T10:09:24,780 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B 2025-08-31T10:09:24,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe 2025-08-31T10:09:24,784 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe 2025-08-31T10:09:24,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao 2025-08-31T10:09:24,787 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao 2025-08-31T10:09:24,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp 2025-08-31T10:09:24,791 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp 2025-08-31T10:09:24,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1 2025-08-31T10:09:24,794 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1 2025-08-31T10:09:24,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20 2025-08-31T10:09:24,798 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20 2025-08-31T10:09:24,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p 2025-08-31T10:09:24,801 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p 2025-08-31T10:09:24,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg 2025-08-31T10:09:24,805 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg 2025-08-31T10:09:24,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14 2025-08-31T10:09:24,808 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14 2025-08-31T10:09:24,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2 2025-08-31T10:09:24,812 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2 2025-08-31T10:09:24,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24 2025-08-31T10:09:24,815 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24 2025-08-31T10:09:24,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n 2025-08-31T10:09:24,818 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n 2025-08-31T10:09:24,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s 2025-08-31T10:09:24,822 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s 2025-08-31T10:09:24,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl 2025-08-31T10:09:24,825 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl 2025-08-31T10:09:24,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45 2025-08-31T10:09:24,828 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45 2025-08-31T10:09:24,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl 2025-08-31T10:09:24,832 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl 2025-08-31T10:09:24,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78 2025-08-31T10:09:24,835 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78 2025-08-31T10:09:24,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b 2025-08-31T10:09:24,839 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b 2025-08-31T10:09:24,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B 2025-08-31T10:09:24,842 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B 2025-08-31T10:09:24,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl 2025-08-31T10:09:24,845 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl 2025-08-31T10:09:24,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10 2025-08-31T10:09:24,849 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10 2025-08-31T10:09:24,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n 2025-08-31T10:09:24,852 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n 2025-08-31T10:09:24,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2 2025-08-31T10:09:24,856 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2 2025-08-31T10:09:24,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20 2025-08-31T10:09:24,859 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20 2025-08-31T10:09:24,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5 2025-08-31T10:09:24,863 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5 2025-08-31T10:09:24,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43 2025-08-31T10:09:24,867 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43 2025-08-31T10:09:24,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h 2025-08-31T10:09:24,870 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h 2025-08-31T10:09:24,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3 2025-08-31T10:09:24,873 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3 2025-08-31T10:09:24,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A 2025-08-31T10:09:24,876 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A 2025-08-31T10:09:24,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s- 2025-08-31T10:09:24,879 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s- 2025-08-31T10:09:24,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca 2025-08-31T10:09:24,883 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca 2025-08-31T10:09:24,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02 2025-08-31T10:09:24,886 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02 2025-08-31T10:09:24,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+ 2025-08-31T10:09:24,890 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+ 2025-08-31T10:09:24,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl 2025-08-31T10:09:24,893 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl 2025-08-31T10:09:24,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A 2025-08-31T10:09:24,897 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A 2025-08-31T10:09:24,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si 2025-08-31T10:09:24,900 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si 2025-08-31T10:09:24,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A 2025-08-31T10:09:24,903 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A 2025-08-31T10:09:24,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A 2025-08-31T10:09:24,907 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A 2025-08-31T10:09:24,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots 2025-08-31T10:09:24,911 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots 2025-08-31T10:09:24,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n 2025-08-31T10:09:24,914 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n 2025-08-31T10:09:24,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A 2025-08-31T10:09:24,917 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A 2025-08-31T10:09:24,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n 2025-08-31T10:09:24,920 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n 2025-08-31T10:09:24,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi 2025-08-31T10:09:24,924 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi 2025-08-31T10:09:24,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O 2025-08-31T10:09:24,927 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O 2025-08-31T10:09:24,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2 2025-08-31T10:09:24,931 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2 2025-08-31T10:09:24,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne 2025-08-31T10:09:24,934 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne 2025-08-31T10:09:24,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn 2025-08-31T10:09:24,937 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn 2025-08-31T10:09:24,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2 2025-08-31T10:09:24,941 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2 2025-08-31T10:09:24,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B 2025-08-31T10:09:24,944 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B 2025-08-31T10:09:24,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B 2025-08-31T10:09:24,948 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B 2025-08-31T10:09:24,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p 2025-08-31T10:09:24,951 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p 2025-08-31T10:09:24,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39 2025-08-31T10:09:24,954 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39 2025-08-31T10:09:24,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f 2025-08-31T10:09:24,958 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f 2025-08-31T10:09:24,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo 2025-08-31T10:09:24,961 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo 2025-08-31T10:09:24,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm 2025-08-31T10:09:24,965 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm 2025-08-31T10:09:24,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS 2025-08-31T10:09:24,968 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS 2025-08-31T10:09:24,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo 2025-08-31T10:09:24,971 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo 2025-08-31T10:09:24,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s 2025-08-31T10:09:24,975 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s 2025-08-31T10:09:24,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp 2025-08-31T10:09:24,978 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp 2025-08-31T10:09:24,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+ 2025-08-31T10:09:24,981 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+ 2025-08-31T10:09:24,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48 2025-08-31T10:09:24,985 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48 2025-08-31T10:09:24,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh 2025-08-31T10:09:24,988 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh 2025-08-31T10:09:24,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl 2025-08-31T10:09:24,991 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl 2025-08-31T10:09:24,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl 2025-08-31T10:09:24,995 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl 2025-08-31T10:09:24,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O 2025-08-31T10:09:24,998 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O 2025-08-31T10:09:25,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A 2025-08-31T10:09:25,002 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A 2025-08-31T10:09:25,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21 2025-08-31T10:09:25,005 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21 2025-08-31T10:09:25,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B 2025-08-31T10:09:25,008 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B 2025-08-31T10:09:25,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2 2025-08-31T10:09:25,012 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2 2025-08-31T10:09:25,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+ 2025-08-31T10:09:25,015 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+ 2025-08-31T10:09:25,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel 2025-08-31T10:09:25,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43 2025-08-31T10:09:25,020 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43 2025-08-31T10:09:25,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0 2025-08-31T10:09:25,024 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0 2025-08-31T10:09:25,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3 2025-08-31T10:09:25,027 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3 2025-08-31T10:09:25,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42 2025-08-31T10:09:25,030 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42 2025-08-31T10:09:25,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2 2025-08-31T10:09:25,034 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2 2025-08-31T10:09:25,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72 2025-08-31T10:09:25,037 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72 2025-08-31T10:09:25,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4 2025-08-31T10:09:25,040 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4 2025-08-31T10:09:25,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72 2025-08-31T10:09:25,044 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72 2025-08-31T10:09:25,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1 2025-08-31T10:09:25,047 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1 2025-08-31T10:09:25,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71 2025-08-31T10:09:25,051 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71 2025-08-31T10:09:25,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41 2025-08-31T10:09:25,055 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41 2025-08-31T10:09:25,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2 2025-08-31T10:09:25,058 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2 2025-08-31T10:09:25,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1 2025-08-31T10:09:25,061 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1 2025-08-31T10:09:25,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3 2025-08-31T10:09:25,064 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3 2025-08-31T10:09:25,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2 2025-08-31T10:09:25,068 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2 2025-08-31T10:09:25,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3 2025-08-31T10:09:25,071 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3 2025-08-31T10:09:25,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42 2025-08-31T10:09:25,074 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42 2025-08-31T10:09:25,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0 2025-08-31T10:09:25,078 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0 2025-08-31T10:09:25,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41 2025-08-31T10:09:25,081 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41 2025-08-31T10:09:25,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2 2025-08-31T10:09:25,085 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2 2025-08-31T10:09:25,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42 2025-08-31T10:09:25,088 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42 2025-08-31T10:09:25,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0 2025-08-31T10:09:25,091 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0 2025-08-31T10:09:25,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3 2025-08-31T10:09:25,095 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3 2025-08-31T10:09:25,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1 2025-08-31T10:09:25,099 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1 2025-08-31T10:09:25,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71 2025-08-31T10:09:25,103 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71 2025-08-31T10:09:25,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2 2025-08-31T10:09:25,106 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2 2025-08-31T10:09:25,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1 2025-08-31T10:09:25,109 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1 2025-08-31T10:09:25,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0 2025-08-31T10:09:25,112 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0 2025-08-31T10:09:25,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41 2025-08-31T10:09:25,116 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41 2025-08-31T10:09:25,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0 2025-08-31T10:09:25,119 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0 2025-08-31T10:09:25,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2 2025-08-31T10:09:25,122 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2 2025-08-31T10:09:25,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP 2025-08-31T10:09:25,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22 2025-08-31T10:09:25,127 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22 2025-08-31T10:09:25,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f 2025-08-31T10:09:25,131 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f 2025-08-31T10:09:25,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1 2025-08-31T10:09:25,135 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1 2025-08-31T10:09:25,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2 2025-08-31T10:09:25,138 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2 2025-08-31T10:09:25,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2 2025-08-31T10:09:25,142 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2 2025-08-31T10:09:25,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f 2025-08-31T10:09:25,145 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f 2025-08-31T10:09:25,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l 2025-08-31T10:09:25,149 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l 2025-08-31T10:09:25,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant 2025-08-31T10:09:25,152 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant 2025-08-31T10:09:25,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene 2025-08-31T10:09:25,156 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene 2025-08-31T10:09:25,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer 2025-08-31T10:09:25,159 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer 2025-08-31T10:09:25,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l 2025-08-31T10:09:25,162 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l 2025-08-31T10:09:25,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1 2025-08-31T10:09:25,166 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1 2025-08-31T10:09:25,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2 2025-08-31T10:09:25,169 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2 2025-08-31T10:09:25,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24 2025-08-31T10:09:25,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole 2025-08-31T10:09:25,175 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole 2025-08-31T10:09:25,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS 2025-08-31T10:09:25,178 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS 2025-08-31T10:09:25,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S 2025-08-31T10:09:25,181 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S 2025-08-31T10:09:25,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2025-08-31T10:09:25,185 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2025-08-31T10:09:25,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene 2025-08-31T10:09:25,188 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene 2025-08-31T10:09:25,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS 2025-08-31T10:09:25,192 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS 2025-08-31T10:09:25,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS 2025-08-31T10:09:25,196 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS 2025-08-31T10:09:25,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene 2025-08-31T10:09:25,199 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene 2025-08-31T10:09:25,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2 2025-08-31T10:09:25,203 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2 2025-08-31T10:09:25,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene 2025-08-31T10:09:25,207 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene 2025-08-31T10:09:25,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene 2025-08-31T10:09:25,210 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene 2025-08-31T10:09:25,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS 2025-08-31T10:09:25,214 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS 2025-08-31T10:09:25,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine 2025-08-31T10:09:25,217 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine 2025-08-31T10:09:25,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS 2025-08-31T10:09:25,221 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS 2025-08-31T10:09:25,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS 2025-08-31T10:09:25,225 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS 2025-08-31T10:09:25,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS 2025-08-31T10:09:25,228 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS 2025-08-31T10:09:25,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS 2025-08-31T10:09:25,231 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS 2025-08-31T10:09:25,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS 2025-08-31T10:09:25,235 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS 2025-08-31T10:09:25,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS 2025-08-31T10:09:25,238 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS 2025-08-31T10:09:25,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS 2025-08-31T10:09:25,242 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS 2025-08-31T10:09:25,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS 2025-08-31T10:09:25,245 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS 2025-08-31T10:09:25,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene 2025-08-31T10:09:25,249 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene 2025-08-31T10:09:25,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether 2025-08-31T10:09:25,252 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether 2025-08-31T10:09:25,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene 2025-08-31T10:09:25,256 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene 2025-08-31T10:09:25,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph 2025-08-31T10:09:25,259 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph 2025-08-31T10:09:25,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS 2025-08-31T10:09:25,263 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS 2025-08-31T10:09:25,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3 2025-08-31T10:09:25,266 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3 2025-08-31T10:09:25,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene 2025-08-31T10:09:25,270 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene 2025-08-31T10:09:25,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS 2025-08-31T10:09:25,273 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS 2025-08-31T10:09:25,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3 2025-08-31T10:09:25,277 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3 2025-08-31T10:09:25,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene 2025-08-31T10:09:25,281 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene 2025-08-31T10:09:25,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS 2025-08-31T10:09:25,285 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS 2025-08-31T10:09:25,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS 2025-08-31T10:09:25,288 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS 2025-08-31T10:09:25,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene 2025-08-31T10:09:25,292 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene 2025-08-31T10:09:25,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene 2025-08-31T10:09:25,296 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene 2025-08-31T10:09:25,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS 2025-08-31T10:09:25,299 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS 2025-08-31T10:09:25,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether 2025-08-31T10:09:25,303 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether 2025-08-31T10:09:25,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3 2025-08-31T10:09:25,306 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3 2025-08-31T10:09:25,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS 2025-08-31T10:09:25,309 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS 2025-08-31T10:09:25,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3 2025-08-31T10:09:25,313 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3 2025-08-31T10:09:25,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS 2025-08-31T10:09:25,316 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS 2025-08-31T10:09:25,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3 2025-08-31T10:09:25,320 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3 2025-08-31T10:09:25,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene 2025-08-31T10:09:25,323 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene 2025-08-31T10:09:25,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS 2025-08-31T10:09:25,327 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS 2025-08-31T10:09:25,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS 2025-08-31T10:09:25,330 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS 2025-08-31T10:09:25,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O 2025-08-31T10:09:25,334 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O 2025-08-31T10:09:25,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS 2025-08-31T10:09:25,337 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS 2025-08-31T10:09:25,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS 2025-08-31T10:09:25,341 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS 2025-08-31T10:09:25,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF 2025-08-31T10:09:25,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+ 2025-08-31T10:09:25,347 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+ 2025-08-31T10:09:25,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt 2025-08-31T10:09:25,350 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt 2025-08-31T10:09:25,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G 2025-08-31T10:09:25,354 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G 2025-08-31T10:09:25,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT 2025-08-31T10:09:25,357 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT 2025-08-31T10:09:25,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g- 2025-08-31T10:09:25,360 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g- 2025-08-31T10:09:25,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX 2025-08-31T10:09:25,364 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX 2025-08-31T10:09:25,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg 2025-08-31T10:09:25,368 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg 2025-08-31T10:09:25,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG 2025-08-31T10:09:25,372 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG 2025-08-31T10:09:25,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+ 2025-08-31T10:09:25,376 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+ 2025-08-31T10:09:25,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt 2025-08-31T10:09:25,379 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt 2025-08-31T10:09:25,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt 2025-08-31T10:09:25,383 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt 2025-08-31T10:09:25,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T 2025-08-31T10:09:25,386 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T 2025-08-31T10:09:25,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG 2025-08-31T10:09:25,389 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG 2025-08-31T10:09:25,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g- 2025-08-31T10:09:25,393 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g- 2025-08-31T10:09:25,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg 2025-08-31T10:09:25,396 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg 2025-08-31T10:09:25,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x- 2025-08-31T10:09:25,400 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x- 2025-08-31T10:09:25,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg 2025-08-31T10:09:25,403 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg 2025-08-31T10:09:25,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g- 2025-08-31T10:09:25,407 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g- 2025-08-31T10:09:25,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF 2025-08-31T10:09:25,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23 2025-08-31T10:09:25,412 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23 2025-08-31T10:09:25,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4 2025-08-31T10:09:25,416 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4 2025-08-31T10:09:25,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8 2025-08-31T10:09:25,420 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8 2025-08-31T10:09:25,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30 2025-08-31T10:09:25,423 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30 2025-08-31T10:09:25,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3 2025-08-31T10:09:25,427 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3 2025-08-31T10:09:25,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29 2025-08-31T10:09:25,430 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29 2025-08-31T10:09:25,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42 2025-08-31T10:09:25,434 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42 2025-08-31T10:09:25,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10 2025-08-31T10:09:25,438 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10 2025-08-31T10:09:25,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34 2025-08-31T10:09:25,441 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34 2025-08-31T10:09:25,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22 2025-08-31T10:09:25,445 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22 2025-08-31T10:09:25,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18 2025-08-31T10:09:25,448 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18 2025-08-31T10:09:25,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16 2025-08-31T10:09:25,452 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16 2025-08-31T10:09:25,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7 2025-08-31T10:09:25,456 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7 2025-08-31T10:09:25,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52 2025-08-31T10:09:25,459 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52 2025-08-31T10:09:25,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37 2025-08-31T10:09:25,463 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37 2025-08-31T10:09:25,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40 2025-08-31T10:09:25,466 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40 2025-08-31T10:09:25,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28 2025-08-31T10:09:25,470 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28 2025-08-31T10:09:25,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36 2025-08-31T10:09:25,474 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36 2025-08-31T10:09:25,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47 2025-08-31T10:09:25,477 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47 2025-08-31T10:09:25,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21 2025-08-31T10:09:25,481 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21 2025-08-31T10:09:25,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13 2025-08-31T10:09:25,485 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13 2025-08-31T10:09:25,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25 2025-08-31T10:09:25,488 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25 2025-08-31T10:09:25,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32 2025-08-31T10:09:25,492 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32 2025-08-31T10:09:25,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6 2025-08-31T10:09:25,495 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6 2025-08-31T10:09:25,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41 2025-08-31T10:09:25,499 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41 2025-08-31T10:09:25,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14 2025-08-31T10:09:25,502 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14 2025-08-31T10:09:25,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1 2025-08-31T10:09:25,506 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1 2025-08-31T10:09:25,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15 2025-08-31T10:09:25,509 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15 2025-08-31T10:09:25,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38 2025-08-31T10:09:25,513 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38 2025-08-31T10:09:25,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24 2025-08-31T10:09:25,516 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24 2025-08-31T10:09:25,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19 2025-08-31T10:09:25,520 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19 2025-08-31T10:09:25,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31 2025-08-31T10:09:25,523 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31 2025-08-31T10:09:25,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45 2025-08-31T10:09:25,527 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45 2025-08-31T10:09:25,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50 2025-08-31T10:09:25,530 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50 2025-08-31T10:09:25,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26 2025-08-31T10:09:25,534 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26 2025-08-31T10:09:25,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46 2025-08-31T10:09:25,538 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46 2025-08-31T10:09:25,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2 2025-08-31T10:09:25,541 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2 2025-08-31T10:09:25,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20 2025-08-31T10:09:25,545 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20 2025-08-31T10:09:25,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5 2025-08-31T10:09:25,549 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5 2025-08-31T10:09:25,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43 2025-08-31T10:09:25,552 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43 2025-08-31T10:09:25,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44 2025-08-31T10:09:25,556 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44 2025-08-31T10:09:25,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33 2025-08-31T10:09:25,560 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33 2025-08-31T10:09:25,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12 2025-08-31T10:09:25,563 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12 2025-08-31T10:09:25,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17 2025-08-31T10:09:25,566 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17 2025-08-31T10:09:25,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35 2025-08-31T10:09:25,570 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35 2025-08-31T10:09:25,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51 2025-08-31T10:09:25,573 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51 2025-08-31T10:09:25,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9 2025-08-31T10:09:25,577 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9 2025-08-31T10:09:25,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39 2025-08-31T10:09:25,580 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39 2025-08-31T10:09:25,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49 2025-08-31T10:09:25,584 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49 2025-08-31T10:09:25,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48 2025-08-31T10:09:25,587 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48 2025-08-31T10:09:25,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11 2025-08-31T10:09:25,591 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11 2025-08-31T10:09:25,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27 2025-08-31T10:09:25,594 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27 2025-08-31T10:09:25,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12 2025-08-31T10:09:25,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O 2025-08-31T10:09:25,600 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O 2025-08-31T10:09:25,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL 2025-08-31T10:09:25,604 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL 2025-08-31T10:09:25,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A 2025-08-31T10:09:25,608 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A 2025-08-31T10:09:25,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B 2025-08-31T10:09:25,611 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B 2025-08-31T10:09:25,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B 2025-08-31T10:09:25,614 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B 2025-08-31T10:09:25,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A 2025-08-31T10:09:25,618 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A 2025-08-31T10:09:25,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A 2025-08-31T10:09:25,621 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A 2025-08-31T10:09:25,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B 2025-08-31T10:09:25,624 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B 2025-08-31T10:09:25,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL 2025-08-31T10:09:25,628 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL 2025-08-31T10:09:25,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A 2025-08-31T10:09:25,631 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A 2025-08-31T10:09:25,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N 2025-08-31T10:09:25,635 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N 2025-08-31T10:09:25,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL 2025-08-31T10:09:25,638 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL 2025-08-31T10:09:25,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL 2025-08-31T10:09:25,641 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL 2025-08-31T10:09:25,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A 2025-08-31T10:09:25,645 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A 2025-08-31T10:09:25,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A 2025-08-31T10:09:25,649 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A 2025-08-31T10:09:25,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B 2025-08-31T10:09:25,652 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B 2025-08-31T10:09:25,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B 2025-08-31T10:09:25,656 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B 2025-08-31T10:09:25,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A 2025-08-31T10:09:25,659 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A 2025-08-31T10:09:25,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A 2025-08-31T10:09:25,662 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A 2025-08-31T10:09:25,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B 2025-08-31T10:09:25,666 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B 2025-08-31T10:09:25,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N 2025-08-31T10:09:25,669 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N 2025-08-31T10:09:25,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A 2025-08-31T10:09:25,673 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A 2025-08-31T10:09:25,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B 2025-08-31T10:09:25,676 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B 2025-08-31T10:09:25,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A 2025-08-31T10:09:25,680 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A 2025-08-31T10:09:25,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B 2025-08-31T10:09:25,683 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B 2025-08-31T10:09:25,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A 2025-08-31T10:09:25,686 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A 2025-08-31T10:09:25,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N 2025-08-31T10:09:25,690 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N 2025-08-31T10:09:25,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B 2025-08-31T10:09:25,693 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B 2025-08-31T10:09:25,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A 2025-08-31T10:09:25,697 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A 2025-08-31T10:09:25,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B 2025-08-31T10:09:25,700 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B 2025-08-31T10:09:25,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N 2025-08-31T10:09:25,704 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N 2025-08-31T10:09:25,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O 2025-08-31T10:09:25,707 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O 2025-08-31T10:09:25,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O 2025-08-31T10:09:25,711 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O 2025-08-31T10:09:25,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B 2025-08-31T10:09:25,714 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B 2025-08-31T10:09:25,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O 2025-08-31T10:09:25,718 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O 2025-08-31T10:09:25,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B 2025-08-31T10:09:25,721 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B 2025-08-31T10:09:25,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21 2025-08-31T10:09:25,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A 2025-08-31T10:09:25,727 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A 2025-08-31T10:09:25,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A 2025-08-31T10:09:25,730 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A 2025-08-31T10:09:25,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A 2025-08-31T10:09:25,734 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A 2025-08-31T10:09:25,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4 2025-08-31T10:09:25,737 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4 2025-08-31T10:09:25,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B 2025-08-31T10:09:25,741 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B 2025-08-31T10:09:25,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8 2025-08-31T10:09:25,744 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8 2025-08-31T10:09:25,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A 2025-08-31T10:09:25,748 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A 2025-08-31T10:09:25,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B 2025-08-31T10:09:25,751 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B 2025-08-31T10:09:25,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3 2025-08-31T10:09:25,754 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3 2025-08-31T10:09:25,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B 2025-08-31T10:09:25,758 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B 2025-08-31T10:09:25,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A 2025-08-31T10:09:25,761 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A 2025-08-31T10:09:25,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10 2025-08-31T10:09:25,764 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10 2025-08-31T10:09:25,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A 2025-08-31T10:09:25,767 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A 2025-08-31T10:09:25,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18 2025-08-31T10:09:25,771 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18 2025-08-31T10:09:25,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16 2025-08-31T10:09:25,774 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16 2025-08-31T10:09:25,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7 2025-08-31T10:09:25,777 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7 2025-08-31T10:09:25,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B 2025-08-31T10:09:25,780 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B 2025-08-31T10:09:25,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A 2025-08-31T10:09:25,784 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A 2025-08-31T10:09:25,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B 2025-08-31T10:09:25,787 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B 2025-08-31T10:09:25,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21 2025-08-31T10:09:25,791 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21 2025-08-31T10:09:25,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B 2025-08-31T10:09:25,794 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B 2025-08-31T10:09:25,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13 2025-08-31T10:09:25,798 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13 2025-08-31T10:09:25,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B 2025-08-31T10:09:25,801 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B 2025-08-31T10:09:25,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B 2025-08-31T10:09:25,805 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B 2025-08-31T10:09:25,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6 2025-08-31T10:09:25,808 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6 2025-08-31T10:09:25,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A 2025-08-31T10:09:25,811 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A 2025-08-31T10:09:25,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B 2025-08-31T10:09:25,815 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B 2025-08-31T10:09:25,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14 2025-08-31T10:09:25,818 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14 2025-08-31T10:09:25,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1 2025-08-31T10:09:25,821 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1 2025-08-31T10:09:25,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A 2025-08-31T10:09:25,825 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A 2025-08-31T10:09:25,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15 2025-08-31T10:09:25,828 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15 2025-08-31T10:09:25,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B 2025-08-31T10:09:25,832 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B 2025-08-31T10:09:25,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A 2025-08-31T10:09:25,835 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A 2025-08-31T10:09:25,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19 2025-08-31T10:09:25,838 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19 2025-08-31T10:09:25,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A 2025-08-31T10:09:25,842 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A 2025-08-31T10:09:25,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B 2025-08-31T10:09:25,846 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B 2025-08-31T10:09:25,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B 2025-08-31T10:09:25,849 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B 2025-08-31T10:09:25,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B 2025-08-31T10:09:25,852 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B 2025-08-31T10:09:25,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2 2025-08-31T10:09:25,856 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2 2025-08-31T10:09:25,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20 2025-08-31T10:09:25,859 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20 2025-08-31T10:09:25,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B 2025-08-31T10:09:25,862 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B 2025-08-31T10:09:25,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5 2025-08-31T10:09:25,866 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5 2025-08-31T10:09:25,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A 2025-08-31T10:09:25,869 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A 2025-08-31T10:09:25,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A 2025-08-31T10:09:25,873 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A 2025-08-31T10:09:25,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B 2025-08-31T10:09:25,876 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B 2025-08-31T10:09:25,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A 2025-08-31T10:09:25,879 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A 2025-08-31T10:09:25,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B 2025-08-31T10:09:25,883 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B 2025-08-31T10:09:25,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A 2025-08-31T10:09:25,886 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A 2025-08-31T10:09:25,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B 2025-08-31T10:09:25,889 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B 2025-08-31T10:09:25,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A 2025-08-31T10:09:25,893 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A 2025-08-31T10:09:25,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A 2025-08-31T10:09:25,896 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A 2025-08-31T10:09:25,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12 2025-08-31T10:09:25,900 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12 2025-08-31T10:09:25,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17 2025-08-31T10:09:25,903 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17 2025-08-31T10:09:25,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A 2025-08-31T10:09:25,906 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A 2025-08-31T10:09:25,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B 2025-08-31T10:09:25,909 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B 2025-08-31T10:09:25,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9 2025-08-31T10:09:25,913 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9 2025-08-31T10:09:25,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A 2025-08-31T10:09:25,917 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A 2025-08-31T10:09:25,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B 2025-08-31T10:09:25,920 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B 2025-08-31T10:09:25,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A 2025-08-31T10:09:25,923 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A 2025-08-31T10:09:25,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B 2025-08-31T10:09:25,927 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B 2025-08-31T10:09:25,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A 2025-08-31T10:09:25,930 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A 2025-08-31T10:09:25,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B 2025-08-31T10:09:25,934 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B 2025-08-31T10:09:25,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11 2025-08-31T10:09:25,937 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11 2025-08-31T10:09:25,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11 2025-08-31T10:09:25,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl 2025-08-31T10:09:25,945 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl 2025-08-31T10:09:25,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal 2025-08-31T10:09:25,948 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal 2025-08-31T10:09:25,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn 2025-08-31T10:09:25,952 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn 2025-08-31T10:09:25,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh 2025-08-31T10:09:25,955 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh 2025-08-31T10:09:25,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2 2025-08-31T10:09:25,958 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2 2025-08-31T10:09:25,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4 2025-08-31T10:09:25,962 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4 2025-08-31T10:09:25,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh 2025-08-31T10:09:25,965 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh 2025-08-31T10:09:25,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2 2025-08-31T10:09:25,969 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2 2025-08-31T10:09:25,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2 2025-08-31T10:09:25,972 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2 2025-08-31T10:09:25,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs 2025-08-31T10:09:25,975 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs 2025-08-31T10:09:25,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4 2025-08-31T10:09:25,978 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4 2025-08-31T10:09:25,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh 2025-08-31T10:09:25,982 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh 2025-08-31T10:09:25,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc 2025-08-31T10:09:25,985 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc 2025-08-31T10:09:25,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p 2025-08-31T10:09:25,988 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p 2025-08-31T10:09:25,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o 2025-08-31T10:09:25,992 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o 2025-08-31T10:09:25,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn 2025-08-31T10:09:25,995 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn 2025-08-31T10:09:25,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2 2025-08-31T10:09:25,998 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2 2025-08-31T10:09:26,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh 2025-08-31T10:09:26,002 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh 2025-08-31T10:09:26,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2 2025-08-31T10:09:26,005 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2 2025-08-31T10:09:26,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh 2025-08-31T10:09:26,008 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh 2025-08-31T10:09:26,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf 2025-08-31T10:09:26,011 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf 2025-08-31T10:09:26,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c 2025-08-31T10:09:26,014 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c 2025-08-31T10:09:26,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no 2025-08-31T10:09:26,017 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no 2025-08-31T10:09:26,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o 2025-08-31T10:09:26,021 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o 2025-08-31T10:09:26,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al 2025-08-31T10:09:26,024 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al 2025-08-31T10:09:26,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs 2025-08-31T10:09:26,027 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs 2025-08-31T10:09:26,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3 2025-08-31T10:09:26,031 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3 2025-08-31T10:09:26,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn 2025-08-31T10:09:26,034 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn 2025-08-31T10:09:26,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c 2025-08-31T10:09:26,037 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c 2025-08-31T10:09:26,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc 2025-08-31T10:09:26,041 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc 2025-08-31T10:09:26,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be 2025-08-31T10:09:26,044 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be 2025-08-31T10:09:26,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o 2025-08-31T10:09:26,048 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o 2025-08-31T10:09:26,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf 2025-08-31T10:09:26,051 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf 2025-08-31T10:09:26,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6 2025-08-31T10:09:26,054 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6 2025-08-31T10:09:26,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n 2025-08-31T10:09:26,057 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n 2025-08-31T10:09:26,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono 2025-08-31T10:09:26,060 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono 2025-08-31T10:09:26,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif 2025-08-31T10:09:26,064 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif 2025-08-31T10:09:26,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4 2025-08-31T10:09:26,067 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4 2025-08-31T10:09:26,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch 2025-08-31T10:09:26,070 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch 2025-08-31T10:09:26,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde 2025-08-31T10:09:26,074 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde 2025-08-31T10:09:26,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o 2025-08-31T10:09:26,077 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o 2025-08-31T10:09:26,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene 2025-08-31T10:09:26,081 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene 2025-08-31T10:09:26,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2 2025-08-31T10:09:26,084 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2 2025-08-31T10:09:26,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2 2025-08-31T10:09:26,087 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2 2025-08-31T10:09:26,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3 2025-08-31T10:09:26,091 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3 2025-08-31T10:09:26,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s 2025-08-31T10:09:26,095 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s 2025-08-31T10:09:26,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco 2025-08-31T10:09:26,098 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco 2025-08-31T10:09:26,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane 2025-08-31T10:09:26,102 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane 2025-08-31T10:09:26,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2 2025-08-31T10:09:26,106 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2 2025-08-31T10:09:26,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf 2025-08-31T10:09:26,109 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf 2025-08-31T10:09:26,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo 2025-08-31T10:09:26,112 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo 2025-08-31T10:09:26,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4 2025-08-31T10:09:26,115 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4 2025-08-31T10:09:26,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2 2025-08-31T10:09:26,119 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2 2025-08-31T10:09:26,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf 2025-08-31T10:09:26,122 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf 2025-08-31T10:09:26,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2 2025-08-31T10:09:26,125 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2 2025-08-31T10:09:26,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof 2025-08-31T10:09:26,129 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof 2025-08-31T10:09:26,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4 2025-08-31T10:09:26,132 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4 2025-08-31T10:09:26,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f 2025-08-31T10:09:26,135 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f 2025-08-31T10:09:26,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3 2025-08-31T10:09:26,138 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3 2025-08-31T10:09:26,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f 2025-08-31T10:09:26,142 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f 2025-08-31T10:09:26,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic 2025-08-31T10:09:26,145 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic 2025-08-31T10:09:26,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo 2025-08-31T10:09:26,148 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo 2025-08-31T10:09:26,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene 2025-08-31T10:09:26,152 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene 2025-08-31T10:09:26,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh 2025-08-31T10:09:26,155 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh 2025-08-31T10:09:26,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2 2025-08-31T10:09:26,158 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2 2025-08-31T10:09:26,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2 2025-08-31T10:09:26,161 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2 2025-08-31T10:09:26,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol 2025-08-31T10:09:26,164 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol 2025-08-31T10:09:26,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn 2025-08-31T10:09:26,168 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn 2025-08-31T10:09:26,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2 2025-08-31T10:09:26,171 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2 2025-08-31T10:09:26,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof 2025-08-31T10:09:26,175 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof 2025-08-31T10:09:26,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2 2025-08-31T10:09:26,178 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2 2025-08-31T10:09:26,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o 2025-08-31T10:09:26,181 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o 2025-08-31T10:09:26,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f 2025-08-31T10:09:26,185 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f 2025-08-31T10:09:26,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4 2025-08-31T10:09:26,188 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4 2025-08-31T10:09:26,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3 2025-08-31T10:09:26,192 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3 2025-08-31T10:09:26,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2 2025-08-31T10:09:26,195 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2 2025-08-31T10:09:26,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3 2025-08-31T10:09:26,199 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3 2025-08-31T10:09:26,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4 2025-08-31T10:09:26,202 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4 2025-08-31T10:09:26,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi 2025-08-31T10:09:26,206 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi 2025-08-31T10:09:26,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn 2025-08-31T10:09:26,209 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn 2025-08-31T10:09:26,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3 2025-08-31T10:09:26,213 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3 2025-08-31T10:09:26,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn 2025-08-31T10:09:26,216 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn 2025-08-31T10:09:26,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing 2025-08-31T10:09:26,220 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing 2025-08-31T10:09:26,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2 2025-08-31T10:09:26,223 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2 2025-08-31T10:09:26,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3 2025-08-31T10:09:26,227 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3 2025-08-31T10:09:26,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6 2025-08-31T10:09:26,231 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6 2025-08-31T10:09:26,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane 2025-08-31T10:09:26,235 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane 2025-08-31T10:09:26,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2 2025-08-31T10:09:26,238 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2 2025-08-31T10:09:26,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo 2025-08-31T10:09:26,242 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo 2025-08-31T10:09:26,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip 2025-08-31T10:09:26,245 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip 2025-08-31T10:09:26,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn 2025-08-31T10:09:26,249 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn 2025-08-31T10:09:26,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2 2025-08-31T10:09:26,252 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2 2025-08-31T10:09:26,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so 2025-08-31T10:09:26,256 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so 2025-08-31T10:09:26,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co 2025-08-31T10:09:26,260 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co 2025-08-31T10:09:26,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2 2025-08-31T10:09:26,264 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2 2025-08-31T10:09:26,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2 2025-08-31T10:09:26,267 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2 2025-08-31T10:09:26,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s 2025-08-31T10:09:26,270 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s 2025-08-31T10:09:26,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno 2025-08-31T10:09:26,274 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno 2025-08-31T10:09:26,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch 2025-08-31T10:09:26,277 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch 2025-08-31T10:09:26,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol 2025-08-31T10:09:26,281 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol 2025-08-31T10:09:26,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of 2025-08-31T10:09:26,284 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of 2025-08-31T10:09:26,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2 2025-08-31T10:09:26,287 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2 2025-08-31T10:09:26,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl 2025-08-31T10:09:26,291 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl 2025-08-31T10:09:26,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b 2025-08-31T10:09:26,294 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b 2025-08-31T10:09:26,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene 2025-08-31T10:09:26,298 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene 2025-08-31T10:09:26,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh 2025-08-31T10:09:26,301 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh 2025-08-31T10:09:26,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo 2025-08-31T10:09:26,304 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo 2025-08-31T10:09:26,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl 2025-08-31T10:09:26,308 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl 2025-08-31T10:09:26,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno 2025-08-31T10:09:26,311 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno 2025-08-31T10:09:26,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h 2025-08-31T10:09:26,314 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h 2025-08-31T10:09:26,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco 2025-08-31T10:09:26,317 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco 2025-08-31T10:09:26,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch 2025-08-31T10:09:26,321 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch 2025-08-31T10:09:26,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic 2025-08-31T10:09:26,324 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic 2025-08-31T10:09:26,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf 2025-08-31T10:09:26,328 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf 2025-08-31T10:09:26,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2 2025-08-31T10:09:26,331 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2 2025-08-31T10:09:26,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh 2025-08-31T10:09:26,334 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh 2025-08-31T10:09:26,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof 2025-08-31T10:09:26,337 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof 2025-08-31T10:09:26,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f 2025-08-31T10:09:26,341 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f 2025-08-31T10:09:26,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf 2025-08-31T10:09:26,344 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf 2025-08-31T10:09:26,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o 2025-08-31T10:09:26,348 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o 2025-08-31T10:09:26,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si 2025-08-31T10:09:26,351 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si 2025-08-31T10:09:26,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co 2025-08-31T10:09:26,354 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co 2025-08-31T10:09:26,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs 2025-08-31T10:09:26,358 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs 2025-08-31T10:09:26,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf 2025-08-31T10:09:26,361 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf 2025-08-31T10:09:26,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2 2025-08-31T10:09:26,365 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2 2025-08-31T10:09:26,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio 2025-08-31T10:09:26,368 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio 2025-08-31T10:09:26,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3 2025-08-31T10:09:26,371 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3 2025-08-31T10:09:26,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2 2025-08-31T10:09:26,375 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2 2025-08-31T10:09:26,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl 2025-08-31T10:09:26,378 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl 2025-08-31T10:09:26,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h 2025-08-31T10:09:26,382 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h 2025-08-31T10:09:26,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6 2025-08-31T10:09:26,385 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6 2025-08-31T10:09:26,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn 2025-08-31T10:09:26,389 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn 2025-08-31T10:09:26,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih 2025-08-31T10:09:26,392 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih 2025-08-31T10:09:26,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3 2025-08-31T10:09:26,395 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3 2025-08-31T10:09:26,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh 2025-08-31T10:09:26,398 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh 2025-08-31T10:09:26,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene 2025-08-31T10:09:26,401 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene 2025-08-31T10:09:26,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3 2025-08-31T10:09:26,405 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3 2025-08-31T10:09:26,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co 2025-08-31T10:09:26,408 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co 2025-08-31T10:09:26,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f 2025-08-31T10:09:26,411 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f 2025-08-31T10:09:26,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane 2025-08-31T10:09:26,415 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane 2025-08-31T10:09:26,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo 2025-08-31T10:09:26,418 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo 2025-08-31T10:09:26,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3 2025-08-31T10:09:26,421 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3 2025-08-31T10:09:26,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh 2025-08-31T10:09:26,425 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh 2025-08-31T10:09:26,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne 2025-08-31T10:09:26,428 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne 2025-08-31T10:09:26,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo 2025-08-31T10:09:26,431 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo 2025-08-31T10:09:26,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2 2025-08-31T10:09:26,435 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2 2025-08-31T10:09:26,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2 2025-08-31T10:09:26,438 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2 2025-08-31T10:09:26,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v 2025-08-31T10:09:26,441 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v 2025-08-31T10:09:26,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh 2025-08-31T10:09:26,445 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh 2025-08-31T10:09:26,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl 2025-08-31T10:09:26,448 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl 2025-08-31T10:09:26,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono 2025-08-31T10:09:26,451 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono 2025-08-31T10:09:26,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2 2025-08-31T10:09:26,454 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2 2025-08-31T10:09:26,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16 2025-08-31T10:09:26,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B 2025-08-31T10:09:26,460 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B 2025-08-31T10:09:26,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227 2025-08-31T10:09:26,463 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227 2025-08-31T10:09:26,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147 2025-08-31T10:09:26,467 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147 2025-08-31T10:09:26,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B 2025-08-31T10:09:26,470 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B 2025-08-31T10:09:26,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A 2025-08-31T10:09:26,474 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A 2025-08-31T10:09:26,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150 2025-08-31T10:09:26,478 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150 2025-08-31T10:09:26,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B 2025-08-31T10:09:26,481 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B 2025-08-31T10:09:26,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A 2025-08-31T10:09:26,485 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A 2025-08-31T10:09:26,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B 2025-08-31T10:09:26,488 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B 2025-08-31T10:09:26,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A 2025-08-31T10:09:26,492 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A 2025-08-31T10:09:26,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A 2025-08-31T10:09:26,495 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A 2025-08-31T10:09:26,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B 2025-08-31T10:09:26,498 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B 2025-08-31T10:09:26,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A 2025-08-31T10:09:26,502 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A 2025-08-31T10:09:26,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B 2025-08-31T10:09:26,505 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B 2025-08-31T10:09:26,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187 2025-08-31T10:09:26,509 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187 2025-08-31T10:09:26,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229 2025-08-31T10:09:26,512 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229 2025-08-31T10:09:26,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A 2025-08-31T10:09:26,515 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A 2025-08-31T10:09:26,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B 2025-08-31T10:09:26,519 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B 2025-08-31T10:09:26,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152 2025-08-31T10:09:26,522 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152 2025-08-31T10:09:26,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148 2025-08-31T10:09:26,525 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148 2025-08-31T10:09:26,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A 2025-08-31T10:09:26,529 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A 2025-08-31T10:09:26,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B 2025-08-31T10:09:26,532 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B 2025-08-31T10:09:26,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212 2025-08-31T10:09:26,536 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212 2025-08-31T10:09:26,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B 2025-08-31T10:09:26,539 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B 2025-08-31T10:09:26,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B 2025-08-31T10:09:26,543 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B 2025-08-31T10:09:26,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A 2025-08-31T10:09:26,546 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A 2025-08-31T10:09:26,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228 2025-08-31T10:09:26,549 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228 2025-08-31T10:09:26,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144 2025-08-31T10:09:26,553 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144 2025-08-31T10:09:26,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A 2025-08-31T10:09:26,556 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A 2025-08-31T10:09:26,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B 2025-08-31T10:09:26,560 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B 2025-08-31T10:09:26,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A 2025-08-31T10:09:26,563 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A 2025-08-31T10:09:26,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231 2025-08-31T10:09:26,566 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231 2025-08-31T10:09:26,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A 2025-08-31T10:09:26,570 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A 2025-08-31T10:09:26,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A 2025-08-31T10:09:26,573 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A 2025-08-31T10:09:26,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008 2025-08-31T10:09:26,577 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008 2025-08-31T10:09:26,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B 2025-08-31T10:09:26,580 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B 2025-08-31T10:09:26,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B 2025-08-31T10:09:26,583 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B 2025-08-31T10:09:26,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A 2025-08-31T10:09:26,587 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A 2025-08-31T10:09:26,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230 2025-08-31T10:09:26,590 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230 2025-08-31T10:09:26,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A 2025-08-31T10:09:26,594 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A 2025-08-31T10:09:26,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A 2025-08-31T10:09:26,597 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A 2025-08-31T10:09:26,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A 2025-08-31T10:09:26,600 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A 2025-08-31T10:09:26,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B 2025-08-31T10:09:26,603 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B 2025-08-31T10:09:26,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B 2025-08-31T10:09:26,607 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B 2025-08-31T10:09:26,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202 2025-08-31T10:09:26,610 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202 2025-08-31T10:09:26,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213 2025-08-31T10:09:26,614 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213 2025-08-31T10:09:26,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214 2025-08-31T10:09:26,617 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214 2025-08-31T10:09:26,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B 2025-08-31T10:09:26,620 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B 2025-08-31T10:09:26,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18 2025-08-31T10:09:26,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3 2025-08-31T10:09:26,626 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3 2025-08-31T10:09:26,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22 2025-08-31T10:09:26,629 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22 2025-08-31T10:09:26,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3 2025-08-31T10:09:26,633 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3 2025-08-31T10:09:26,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22 2025-08-31T10:09:26,636 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22 2025-08-31T10:09:26,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3 2025-08-31T10:09:26,639 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3 2025-08-31T10:09:26,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2 2025-08-31T10:09:26,643 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2 2025-08-31T10:09:26,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2 2025-08-31T10:09:26,646 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2 2025-08-31T10:09:26,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2 2025-08-31T10:09:26,649 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2 2025-08-31T10:09:26,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2 2025-08-31T10:09:26,652 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2 2025-08-31T10:09:26,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22 2025-08-31T10:09:26,655 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22 2025-08-31T10:09:26,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2 2025-08-31T10:09:26,659 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2 2025-08-31T10:09:26,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s 2025-08-31T10:09:26,662 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s 2025-08-31T10:09:26,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22 2025-08-31T10:09:26,665 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22 2025-08-31T10:09:26,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s 2025-08-31T10:09:26,669 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s 2025-08-31T10:09:26,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2 2025-08-31T10:09:26,672 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2 2025-08-31T10:09:26,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22 2025-08-31T10:09:26,676 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22 2025-08-31T10:09:26,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22 2025-08-31T10:09:26,679 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22 2025-08-31T10:09:26,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3 2025-08-31T10:09:26,682 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3 2025-08-31T10:09:26,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22 2025-08-31T10:09:26,686 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22 2025-08-31T10:09:26,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2 2025-08-31T10:09:26,689 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2 2025-08-31T10:09:26,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2 2025-08-31T10:09:26,692 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2 2025-08-31T10:09:26,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s 2025-08-31T10:09:26,696 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s 2025-08-31T10:09:26,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3 2025-08-31T10:09:26,699 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3 2025-08-31T10:09:26,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22 2025-08-31T10:09:26,702 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22 2025-08-31T10:09:26,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22 2025-08-31T10:09:26,706 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22 2025-08-31T10:09:26,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2 2025-08-31T10:09:26,710 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2 2025-08-31T10:09:26,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3 2025-08-31T10:09:26,713 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3 2025-08-31T10:09:26,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2 2025-08-31T10:09:26,716 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2 2025-08-31T10:09:26,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22 2025-08-31T10:09:26,720 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22 2025-08-31T10:09:26,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11 2025-08-31T10:09:26,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3 2025-08-31T10:09:26,725 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3 2025-08-31T10:09:26,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2 2025-08-31T10:09:26,729 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2 2025-08-31T10:09:26,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh 2025-08-31T10:09:26,732 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh 2025-08-31T10:09:26,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2 2025-08-31T10:09:26,736 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2 2025-08-31T10:09:26,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6 2025-08-31T10:09:26,739 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6 2025-08-31T10:09:26,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2 2025-08-31T10:09:26,743 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2 2025-08-31T10:09:26,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4 2025-08-31T10:09:26,750 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4 2025-08-31T10:09:26,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme 2025-08-31T10:09:26,753 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme 2025-08-31T10:09:26,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2 2025-08-31T10:09:26,756 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2 2025-08-31T10:09:26,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2 2025-08-31T10:09:26,760 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2 2025-08-31T10:09:26,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6 2025-08-31T10:09:26,763 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6 2025-08-31T10:09:26,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3 2025-08-31T10:09:26,767 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3 2025-08-31T10:09:26,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br 2025-08-31T10:09:26,770 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br 2025-08-31T10:09:26,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4 2025-08-31T10:09:26,774 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4 2025-08-31T10:09:26,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl 2025-08-31T10:09:26,777 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl 2025-08-31T10:09:26,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4 2025-08-31T10:09:26,781 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4 2025-08-31T10:09:26,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3 2025-08-31T10:09:26,785 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3 2025-08-31T10:09:26,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6 2025-08-31T10:09:26,788 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6 2025-08-31T10:09:26,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2 2025-08-31T10:09:26,791 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2 2025-08-31T10:09:26,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2 2025-08-31T10:09:26,795 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2 2025-08-31T10:09:26,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2 2025-08-31T10:09:26,798 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2 2025-08-31T10:09:26,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh 2025-08-31T10:09:26,801 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh 2025-08-31T10:09:26,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36 2025-08-31T10:09:26,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1 2025-08-31T10:09:26,807 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1 2025-08-31T10:09:26,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14 2025-08-31T10:09:26,810 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14 2025-08-31T10:09:26,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4 2025-08-31T10:09:26,814 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4 2025-08-31T10:09:26,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16 2025-08-31T10:09:26,817 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16 2025-08-31T10:09:26,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11 2025-08-31T10:09:26,821 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11 2025-08-31T10:09:26,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1 2025-08-31T10:09:26,824 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1 2025-08-31T10:09:26,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7 2025-08-31T10:09:26,828 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7 2025-08-31T10:09:26,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9 2025-08-31T10:09:26,831 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9 2025-08-31T10:09:26,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15 2025-08-31T10:09:26,835 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15 2025-08-31T10:09:26,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9 2025-08-31T10:09:26,839 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9 2025-08-31T10:09:26,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3 2025-08-31T10:09:26,842 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3 2025-08-31T10:09:26,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15 2025-08-31T10:09:26,846 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15 2025-08-31T10:09:26,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13 2025-08-31T10:09:26,849 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13 2025-08-31T10:09:26,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4 2025-08-31T10:09:26,853 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4 2025-08-31T10:09:26,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12 2025-08-31T10:09:26,856 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12 2025-08-31T10:09:26,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8 2025-08-31T10:09:26,860 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8 2025-08-31T10:09:26,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6 2025-08-31T10:09:26,864 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6 2025-08-31T10:09:26,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2 2025-08-31T10:09:26,867 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2 2025-08-31T10:09:26,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4 2025-08-31T10:09:26,870 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4 2025-08-31T10:09:26,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1 2025-08-31T10:09:26,874 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1 2025-08-31T10:09:26,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14 2025-08-31T10:09:26,878 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14 2025-08-31T10:09:26,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10 2025-08-31T10:09:26,881 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10 2025-08-31T10:09:26,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3 2025-08-31T10:09:26,885 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3 2025-08-31T10:09:26,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3 2025-08-31T10:09:26,888 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3 2025-08-31T10:09:26,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13 2025-08-31T10:09:26,892 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13 2025-08-31T10:09:26,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4 2025-08-31T10:09:26,895 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4 2025-08-31T10:09:26,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7 2025-08-31T10:09:26,898 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7 2025-08-31T10:09:26,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5 2025-08-31T10:09:26,902 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5 2025-08-31T10:09:26,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5 2025-08-31T10:09:26,905 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5 2025-08-31T10:09:26,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11 2025-08-31T10:09:26,908 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11 2025-08-31T10:09:26,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8 2025-08-31T10:09:26,912 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8 2025-08-31T10:09:26,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6 2025-08-31T10:09:26,915 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6 2025-08-31T10:09:26,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10 2025-08-31T10:09:26,919 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10 2025-08-31T10:09:26,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2 2025-08-31T10:09:26,922 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2 2025-08-31T10:09:26,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5 2025-08-31T10:09:26,926 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5 2025-08-31T10:09:26,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12 2025-08-31T10:09:26,929 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12 2025-08-31T10:09:26,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6 2025-08-31T10:09:26,933 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6 2025-08-31T10:09:26,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2 2025-08-31T10:09:26,936 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2 2025-08-31T10:09:26,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8 2025-08-31T10:09:26,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8 2025-08-31T10:09:26,943 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8 2025-08-31T10:09:26,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h 2025-08-31T10:09:26,946 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h 2025-08-31T10:09:26,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4 2025-08-31T10:09:26,950 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4 2025-08-31T10:09:26,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+ 2025-08-31T10:09:26,953 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+ 2025-08-31T10:09:26,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4 2025-08-31T10:09:26,956 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4 2025-08-31T10:09:26,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2 2025-08-31T10:09:26,960 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2 2025-08-31T10:09:26,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me 2025-08-31T10:09:26,964 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me 2025-08-31T10:09:26,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2 2025-08-31T10:09:26,967 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2 2025-08-31T10:09:26,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+ 2025-08-31T10:09:26,971 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+ 2025-08-31T10:09:26,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2 2025-08-31T10:09:26,976 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2 2025-08-31T10:09:26,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c 2025-08-31T10:09:26,980 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c 2025-08-31T10:09:26,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2 2025-08-31T10:09:26,983 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2 2025-08-31T10:09:26,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch 2025-08-31T10:09:26,987 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch 2025-08-31T10:09:26,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n 2025-08-31T10:09:26,991 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n 2025-08-31T10:09:26,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2 2025-08-31T10:09:26,994 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2 2025-08-31T10:09:26,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me 2025-08-31T10:09:26,998 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me 2025-08-31T10:09:27,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8 2025-08-31T10:09:27,001 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8 2025-08-31T10:09:27,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18 2025-08-31T10:09:27,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o 2025-08-31T10:09:27,006 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o 2025-08-31T10:09:27,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4 2025-08-31T10:09:27,010 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4 2025-08-31T10:09:27,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1 2025-08-31T10:09:27,013 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1 2025-08-31T10:09:27,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o 2025-08-31T10:09:27,017 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o 2025-08-31T10:09:27,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4 2025-08-31T10:09:27,020 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4 2025-08-31T10:09:27,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o 2025-08-31T10:09:27,024 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o 2025-08-31T10:09:27,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3 2025-08-31T10:09:27,027 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3 2025-08-31T10:09:27,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o 2025-08-31T10:09:27,031 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o 2025-08-31T10:09:27,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o 2025-08-31T10:09:27,034 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o 2025-08-31T10:09:27,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8 2025-08-31T10:09:27,039 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8 2025-08-31T10:09:27,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1 2025-08-31T10:09:27,042 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1 2025-08-31T10:09:27,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9 2025-08-31T10:09:27,046 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9 2025-08-31T10:09:27,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o 2025-08-31T10:09:27,049 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o 2025-08-31T10:09:27,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5 2025-08-31T10:09:27,052 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5 2025-08-31T10:09:27,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2 2025-08-31T10:09:27,056 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2 2025-08-31T10:09:27,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7 2025-08-31T10:09:27,059 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7 2025-08-31T10:09:27,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6 2025-08-31T10:09:27,063 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6 2025-08-31T10:09:27,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o 2025-08-31T10:09:27,066 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o 2025-08-31T10:09:27,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o 2025-08-31T10:09:27,069 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o 2025-08-31T10:09:27,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3 2025-08-31T10:09:27,073 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3 2025-08-31T10:09:27,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o 2025-08-31T10:09:27,076 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o 2025-08-31T10:09:27,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6 2025-08-31T10:09:27,080 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6 2025-08-31T10:09:27,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o 2025-08-31T10:09:27,083 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o 2025-08-31T10:09:27,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2 2025-08-31T10:09:27,087 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2 2025-08-31T10:09:27,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8 2025-08-31T10:09:27,090 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8 2025-08-31T10:09:27,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9 2025-08-31T10:09:27,094 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9 2025-08-31T10:09:27,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5 2025-08-31T10:09:27,097 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5 2025-08-31T10:09:27,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7 2025-08-31T10:09:27,100 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7 2025-08-31T10:09:27,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43 2025-08-31T10:09:27,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02 2025-08-31T10:09:27,106 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02 2025-08-31T10:09:27,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23 2025-08-31T10:09:27,109 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23 2025-08-31T10:09:27,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08 2025-08-31T10:09:27,113 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08 2025-08-31T10:09:27,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2 2025-08-31T10:09:27,116 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2 2025-08-31T10:09:27,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30 2025-08-31T10:09:27,120 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30 2025-08-31T10:09:27,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2 2025-08-31T10:09:27,123 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2 2025-08-31T10:09:27,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29 2025-08-31T10:09:27,127 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29 2025-08-31T10:09:27,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06 2025-08-31T10:09:27,130 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06 2025-08-31T10:09:27,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3 2025-08-31T10:09:27,134 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3 2025-08-31T10:09:27,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2 2025-08-31T10:09:27,137 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2 2025-08-31T10:09:27,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42 2025-08-31T10:09:27,141 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42 2025-08-31T10:09:27,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10 2025-08-31T10:09:27,144 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10 2025-08-31T10:09:27,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34 2025-08-31T10:09:27,148 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34 2025-08-31T10:09:27,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2 2025-08-31T10:09:27,151 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2 2025-08-31T10:09:27,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22 2025-08-31T10:09:27,154 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22 2025-08-31T10:09:27,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18 2025-08-31T10:09:27,158 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18 2025-08-31T10:09:27,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16 2025-08-31T10:09:27,161 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16 2025-08-31T10:09:27,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04 2025-08-31T10:09:27,165 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04 2025-08-31T10:09:27,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37 2025-08-31T10:09:27,168 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37 2025-08-31T10:09:27,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40 2025-08-31T10:09:27,172 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40 2025-08-31T10:09:27,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09 2025-08-31T10:09:27,175 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09 2025-08-31T10:09:27,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28 2025-08-31T10:09:27,179 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28 2025-08-31T10:09:27,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36 2025-08-31T10:09:27,182 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36 2025-08-31T10:09:27,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21 2025-08-31T10:09:27,186 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21 2025-08-31T10:09:27,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13 2025-08-31T10:09:27,189 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13 2025-08-31T10:09:27,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4 2025-08-31T10:09:27,193 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4 2025-08-31T10:09:27,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25 2025-08-31T10:09:27,196 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25 2025-08-31T10:09:27,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32 2025-08-31T10:09:27,199 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32 2025-08-31T10:09:27,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41 2025-08-31T10:09:27,203 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41 2025-08-31T10:09:27,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14 2025-08-31T10:09:27,206 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14 2025-08-31T10:09:27,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15 2025-08-31T10:09:27,210 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15 2025-08-31T10:09:27,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2 2025-08-31T10:09:27,213 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2 2025-08-31T10:09:27,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38 2025-08-31T10:09:27,216 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38 2025-08-31T10:09:27,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24 2025-08-31T10:09:27,220 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24 2025-08-31T10:09:27,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19 2025-08-31T10:09:27,223 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19 2025-08-31T10:09:27,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01 2025-08-31T10:09:27,227 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01 2025-08-31T10:09:27,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2 2025-08-31T10:09:27,230 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2 2025-08-31T10:09:27,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31 2025-08-31T10:09:27,233 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31 2025-08-31T10:09:27,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4 2025-08-31T10:09:27,237 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4 2025-08-31T10:09:27,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26 2025-08-31T10:09:27,241 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26 2025-08-31T10:09:27,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03 2025-08-31T10:09:27,244 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03 2025-08-31T10:09:27,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20 2025-08-31T10:09:27,248 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20 2025-08-31T10:09:27,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43 2025-08-31T10:09:27,251 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43 2025-08-31T10:09:27,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH 2025-08-31T10:09:27,256 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH 2025-08-31T10:09:27,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33 2025-08-31T10:09:27,260 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33 2025-08-31T10:09:27,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12 2025-08-31T10:09:27,264 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12 2025-08-31T10:09:27,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17 2025-08-31T10:09:27,267 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17 2025-08-31T10:09:27,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH 2025-08-31T10:09:27,271 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH 2025-08-31T10:09:27,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35 2025-08-31T10:09:27,275 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35 2025-08-31T10:09:27,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2 2025-08-31T10:09:27,278 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2 2025-08-31T10:09:27,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39 2025-08-31T10:09:27,282 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39 2025-08-31T10:09:27,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2 2025-08-31T10:09:27,286 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2 2025-08-31T10:09:27,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05 2025-08-31T10:09:27,289 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05 2025-08-31T10:09:27,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3 2025-08-31T10:09:27,293 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3 2025-08-31T10:09:27,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2 2025-08-31T10:09:27,296 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2 2025-08-31T10:09:27,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07 2025-08-31T10:09:27,299 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07 2025-08-31T10:09:27,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11 2025-08-31T10:09:27,303 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11 2025-08-31T10:09:27,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27 2025-08-31T10:09:27,307 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27 2025-08-31T10:09:27,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18 2025-08-31T10:09:27,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3 2025-08-31T10:09:27,312 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3 2025-08-31T10:09:27,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar 2025-08-31T10:09:27,315 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar 2025-08-31T10:09:27,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2 2025-08-31T10:09:27,319 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2 2025-08-31T10:09:27,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr 2025-08-31T10:09:27,322 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr 2025-08-31T10:09:27,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr 2025-08-31T10:09:27,326 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr 2025-08-31T10:09:27,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2 2025-08-31T10:09:27,329 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2 2025-08-31T10:09:27,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar 2025-08-31T10:09:27,333 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar 2025-08-31T10:09:27,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2 2025-08-31T10:09:27,336 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2 2025-08-31T10:09:27,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf 2025-08-31T10:09:27,339 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf 2025-08-31T10:09:27,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne 2025-08-31T10:09:27,343 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne 2025-08-31T10:09:27,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3 2025-08-31T10:09:27,346 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3 2025-08-31T10:09:27,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr 2025-08-31T10:09:27,350 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr 2025-08-31T10:09:27,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne 2025-08-31T10:09:27,353 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne 2025-08-31T10:09:27,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4 2025-08-31T10:09:27,356 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4 2025-08-31T10:09:27,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz 2025-08-31T10:09:27,360 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz 2025-08-31T10:09:27,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4 2025-08-31T10:09:27,363 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4 2025-08-31T10:09:27,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe 2025-08-31T10:09:27,367 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe 2025-08-31T10:09:27,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2 2025-08-31T10:09:27,370 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2 2025-08-31T10:09:27,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6 2025-08-31T10:09:27,374 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6 2025-08-31T10:09:27,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe 2025-08-31T10:09:27,378 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe 2025-08-31T10:09:27,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3 2025-08-31T10:09:27,381 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3 2025-08-31T10:09:27,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr 2025-08-31T10:09:27,385 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr 2025-08-31T10:09:27,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6 2025-08-31T10:09:27,388 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6 2025-08-31T10:09:27,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne 2025-08-31T10:09:27,393 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne 2025-08-31T10:09:27,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar 2025-08-31T10:09:27,399 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar 2025-08-31T10:09:27,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28 2025-08-31T10:09:27,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr 2025-08-31T10:09:27,407 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr 2025-08-31T10:09:27,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4 2025-08-31T10:09:27,410 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4 2025-08-31T10:09:27,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3 2025-08-31T10:09:27,414 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3 2025-08-31T10:09:27,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o 2025-08-31T10:09:27,418 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o 2025-08-31T10:09:27,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3 2025-08-31T10:09:27,421 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3 2025-08-31T10:09:27,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2 2025-08-31T10:09:27,424 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2 2025-08-31T10:09:27,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl 2025-08-31T10:09:27,428 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl 2025-08-31T10:09:27,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o 2025-08-31T10:09:27,431 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o 2025-08-31T10:09:27,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi 2025-08-31T10:09:27,435 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi 2025-08-31T10:09:27,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3 2025-08-31T10:09:27,438 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3 2025-08-31T10:09:27,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3 2025-08-31T10:09:27,442 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3 2025-08-31T10:09:27,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi 2025-08-31T10:09:27,446 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi 2025-08-31T10:09:27,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o 2025-08-31T10:09:27,449 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o 2025-08-31T10:09:27,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr 2025-08-31T10:09:27,453 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr 2025-08-31T10:09:27,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2 2025-08-31T10:09:27,456 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2 2025-08-31T10:09:27,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi 2025-08-31T10:09:27,460 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi 2025-08-31T10:09:27,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s 2025-08-31T10:09:27,463 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s 2025-08-31T10:09:27,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s 2025-08-31T10:09:27,466 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s 2025-08-31T10:09:27,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr 2025-08-31T10:09:27,470 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr 2025-08-31T10:09:27,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr 2025-08-31T10:09:27,474 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr 2025-08-31T10:09:27,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2 2025-08-31T10:09:27,477 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2 2025-08-31T10:09:27,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi 2025-08-31T10:09:27,481 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi 2025-08-31T10:09:27,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl 2025-08-31T10:09:27,484 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl 2025-08-31T10:09:27,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s 2025-08-31T10:09:27,488 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s 2025-08-31T10:09:27,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3 2025-08-31T10:09:27,491 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3 2025-08-31T10:09:27,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2 2025-08-31T10:09:27,495 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2 2025-08-31T10:09:27,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2 2025-08-31T10:09:27,499 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2 2025-08-31T10:09:27,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3 2025-08-31T10:09:27,502 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3 2025-08-31T10:09:27,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl 2025-08-31T10:09:27,506 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl 2025-08-31T10:09:27,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi 2025-08-31T10:09:27,509 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi 2025-08-31T10:09:27,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr 2025-08-31T10:09:27,513 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr 2025-08-31T10:09:27,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o 2025-08-31T10:09:27,516 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o 2025-08-31T10:09:27,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o 2025-08-31T10:09:27,519 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o 2025-08-31T10:09:27,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s 2025-08-31T10:09:27,523 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s 2025-08-31T10:09:27,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl 2025-08-31T10:09:27,526 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl 2025-08-31T10:09:27,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl 2025-08-31T10:09:27,530 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl 2025-08-31T10:09:27,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3 2025-08-31T10:09:27,533 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3 2025-08-31T10:09:27,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2 2025-08-31T10:09:27,537 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2 2025-08-31T10:09:27,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF 2025-08-31T10:09:27,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3 2025-08-31T10:09:27,542 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3 2025-08-31T10:09:27,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2 2025-08-31T10:09:27,546 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2 2025-08-31T10:09:27,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2 2025-08-31T10:09:27,549 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2 2025-08-31T10:09:27,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1 2025-08-31T10:09:27,553 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1 2025-08-31T10:09:27,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1 2025-08-31T10:09:27,557 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1 2025-08-31T10:09:27,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1 2025-08-31T10:09:27,560 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1 2025-08-31T10:09:27,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3 2025-08-31T10:09:27,563 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3 2025-08-31T10:09:27,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1 2025-08-31T10:09:27,567 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1 2025-08-31T10:09:27,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2 2025-08-31T10:09:27,570 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2 2025-08-31T10:09:27,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3 2025-08-31T10:09:27,573 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3 2025-08-31T10:09:27,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2 2025-08-31T10:09:27,577 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2 2025-08-31T10:09:27,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2 2025-08-31T10:09:27,580 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2 2025-08-31T10:09:27,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2 2025-08-31T10:09:27,584 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2 2025-08-31T10:09:27,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4 2025-08-31T10:09:27,587 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4 2025-08-31T10:09:27,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1 2025-08-31T10:09:27,590 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1 2025-08-31T10:09:27,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2 2025-08-31T10:09:27,594 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2 2025-08-31T10:09:27,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2 2025-08-31T10:09:27,597 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2 2025-08-31T10:09:27,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3 2025-08-31T10:09:27,600 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3 2025-08-31T10:09:27,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1 2025-08-31T10:09:27,604 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1 2025-08-31T10:09:27,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4 2025-08-31T10:09:27,607 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4 2025-08-31T10:09:27,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1 2025-08-31T10:09:27,610 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1 2025-08-31T10:09:27,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1 2025-08-31T10:09:27,614 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1 2025-08-31T10:09:27,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3 2025-08-31T10:09:27,617 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3 2025-08-31T10:09:27,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2 2025-08-31T10:09:27,620 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2 2025-08-31T10:09:27,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2 2025-08-31T10:09:27,624 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2 2025-08-31T10:09:27,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1 2025-08-31T10:09:27,627 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1 2025-08-31T10:09:27,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1 2025-08-31T10:09:27,632 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1 2025-08-31T10:09:27,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24 2025-08-31T10:09:27,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p 2025-08-31T10:09:27,638 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p 2025-08-31T10:09:27,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e 2025-08-31T10:09:27,642 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e 2025-08-31T10:09:27,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e 2025-08-31T10:09:27,645 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e 2025-08-31T10:09:27,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p 2025-08-31T10:09:27,649 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p 2025-08-31T10:09:27,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e 2025-08-31T10:09:27,652 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e 2025-08-31T10:09:27,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p 2025-08-31T10:09:27,656 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p 2025-08-31T10:09:27,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e 2025-08-31T10:09:27,659 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e 2025-08-31T10:09:27,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e 2025-08-31T10:09:27,662 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e 2025-08-31T10:09:27,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p 2025-08-31T10:09:27,666 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p 2025-08-31T10:09:27,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e 2025-08-31T10:09:27,670 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e 2025-08-31T10:09:27,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p 2025-08-31T10:09:27,673 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p 2025-08-31T10:09:27,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p 2025-08-31T10:09:27,677 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p 2025-08-31T10:09:27,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p 2025-08-31T10:09:27,680 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p 2025-08-31T10:09:27,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e 2025-08-31T10:09:27,684 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e 2025-08-31T10:09:27,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e 2025-08-31T10:09:27,687 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e 2025-08-31T10:09:27,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p 2025-08-31T10:09:27,690 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p 2025-08-31T10:09:27,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e 2025-08-31T10:09:27,694 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e 2025-08-31T10:09:27,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p 2025-08-31T10:09:27,698 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p 2025-08-31T10:09:27,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e 2025-08-31T10:09:27,701 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e 2025-08-31T10:09:27,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e 2025-08-31T10:09:27,705 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e 2025-08-31T10:09:27,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e 2025-08-31T10:09:27,708 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e 2025-08-31T10:09:27,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e 2025-08-31T10:09:27,712 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e 2025-08-31T10:09:27,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e 2025-08-31T10:09:27,716 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e 2025-08-31T10:09:27,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e 2025-08-31T10:09:27,719 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e 2025-08-31T10:09:27,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e 2025-08-31T10:09:27,723 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e 2025-08-31T10:09:27,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p 2025-08-31T10:09:27,727 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p 2025-08-31T10:09:27,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e 2025-08-31T10:09:27,730 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e 2025-08-31T10:09:27,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p 2025-08-31T10:09:27,734 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p 2025-08-31T10:09:27,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p 2025-08-31T10:09:27,738 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p 2025-08-31T10:09:27,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p 2025-08-31T10:09:27,741 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p 2025-08-31T10:09:27,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e 2025-08-31T10:09:27,745 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e 2025-08-31T10:09:27,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p 2025-08-31T10:09:27,749 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p 2025-08-31T10:09:27,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p 2025-08-31T10:09:27,753 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p 2025-08-31T10:09:27,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p 2025-08-31T10:09:27,757 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p 2025-08-31T10:09:27,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e 2025-08-31T10:09:27,762 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e 2025-08-31T10:09:27,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p 2025-08-31T10:09:27,766 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p 2025-08-31T10:09:27,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e 2025-08-31T10:09:27,770 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e 2025-08-31T10:09:27,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p 2025-08-31T10:09:27,775 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p 2025-08-31T10:09:27,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p 2025-08-31T10:09:27,779 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p 2025-08-31T10:09:27,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p 2025-08-31T10:09:27,782 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p 2025-08-31T10:09:27,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p 2025-08-31T10:09:27,786 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p 2025-08-31T10:09:27,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e 2025-08-31T10:09:27,790 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e 2025-08-31T10:09:27,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p 2025-08-31T10:09:27,794 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p 2025-08-31T10:09:27,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e 2025-08-31T10:09:27,797 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e 2025-08-31T10:09:27,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p 2025-08-31T10:09:27,801 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p 2025-08-31T10:09:27,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p 2025-08-31T10:09:27,805 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p 2025-08-31T10:09:27,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e 2025-08-31T10:09:27,808 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e 2025-08-31T10:09:27,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e 2025-08-31T10:09:27,812 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e 2025-08-31T10:09:27,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6 2025-08-31T10:09:27,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23 2025-08-31T10:09:27,817 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23 2025-08-31T10:09:27,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A 2025-08-31T10:09:27,820 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A 2025-08-31T10:09:27,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A 2025-08-31T10:09:27,824 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A 2025-08-31T10:09:27,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22 2025-08-31T10:09:27,827 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22 2025-08-31T10:09:27,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A 2025-08-31T10:09:27,831 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A 2025-08-31T10:09:27,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B 2025-08-31T10:09:27,834 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B 2025-08-31T10:09:27,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25 2025-08-31T10:09:27,837 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25 2025-08-31T10:09:27,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A 2025-08-31T10:09:27,841 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A 2025-08-31T10:09:27,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24 2025-08-31T10:09:27,845 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24 2025-08-31T10:09:27,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B 2025-08-31T10:09:27,848 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B 2025-08-31T10:09:27,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26 2025-08-31T10:09:27,852 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26 2025-08-31T10:09:27,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A 2025-08-31T10:09:27,856 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A 2025-08-31T10:09:27,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B 2025-08-31T10:09:27,859 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B 2025-08-31T10:09:27,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B 2025-08-31T10:09:27,862 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B 2025-08-31T10:09:27,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A 2025-08-31T10:09:27,866 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A 2025-08-31T10:09:27,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B 2025-08-31T10:09:27,869 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B 2025-08-31T10:09:27,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B 2025-08-31T10:09:27,873 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B 2025-08-31T10:09:27,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27 2025-08-31T10:09:27,876 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27 2025-08-31T10:09:27,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC 2025-08-31T10:09:27,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F 2025-08-31T10:09:27,881 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F 2025-08-31T10:09:27,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3 2025-08-31T10:09:27,885 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3 2025-08-31T10:09:27,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H 2025-08-31T10:09:27,889 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H 2025-08-31T10:09:27,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3 2025-08-31T10:09:27,892 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3 2025-08-31T10:09:27,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3 2025-08-31T10:09:27,896 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3 2025-08-31T10:09:27,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2 2025-08-31T10:09:27,899 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2 2025-08-31T10:09:27,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2 2025-08-31T10:09:27,903 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2 2025-08-31T10:09:27,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz 2025-08-31T10:09:27,906 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz 2025-08-31T10:09:27,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3 2025-08-31T10:09:27,909 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3 2025-08-31T10:09:27,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut 2025-08-31T10:09:27,913 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut 2025-08-31T10:09:27,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3 2025-08-31T10:09:27,916 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3 2025-08-31T10:09:27,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3 2025-08-31T10:09:27,919 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3 2025-08-31T10:09:27,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch 2025-08-31T10:09:27,923 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch 2025-08-31T10:09:27,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3 2025-08-31T10:09:27,926 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3 2025-08-31T10:09:27,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh 2025-08-31T10:09:27,929 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh 2025-08-31T10:09:27,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3 2025-08-31T10:09:27,933 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3 2025-08-31T10:09:27,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl 2025-08-31T10:09:27,936 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl 2025-08-31T10:09:27,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3 2025-08-31T10:09:27,940 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3 2025-08-31T10:09:27,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3 2025-08-31T10:09:27,943 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3 2025-08-31T10:09:27,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3 2025-08-31T10:09:27,946 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3 2025-08-31T10:09:27,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2 2025-08-31T10:09:27,950 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2 2025-08-31T10:09:27,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4 2025-08-31T10:09:27,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5 2025-08-31T10:09:27,955 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5 2025-08-31T10:09:27,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he 2025-08-31T10:09:27,959 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he 2025-08-31T10:09:27,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75 2025-08-31T10:09:27,962 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75 2025-08-31T10:09:27,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75 2025-08-31T10:09:27,965 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75 2025-08-31T10:09:27,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0 2025-08-31T10:09:27,969 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0 2025-08-31T10:09:27,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o 2025-08-31T10:09:27,972 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o 2025-08-31T10:09:27,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3 2025-08-31T10:09:27,975 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3 2025-08-31T10:09:27,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0 2025-08-31T10:09:27,979 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0 2025-08-31T10:09:27,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75 2025-08-31T10:09:27,982 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75 2025-08-31T10:09:27,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0 2025-08-31T10:09:27,986 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0 2025-08-31T10:09:27,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+ 2025-08-31T10:09:27,989 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+ 2025-08-31T10:09:27,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25 2025-08-31T10:09:27,992 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25 2025-08-31T10:09:27,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5 2025-08-31T10:09:27,996 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5 2025-08-31T10:09:27,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25 2025-08-31T10:09:27,999 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25 2025-08-31T10:09:28,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25 2025-08-31T10:09:28,003 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25 2025-08-31T10:09:28,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0 2025-08-31T10:09:28,006 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0 2025-08-31T10:09:28,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h 2025-08-31T10:09:28,010 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h 2025-08-31T10:09:28,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+ 2025-08-31T10:09:28,013 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+ 2025-08-31T10:09:28,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5 2025-08-31T10:09:28,016 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5 2025-08-31T10:09:28,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25 2025-08-31T10:09:28,020 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25 2025-08-31T10:09:28,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5 2025-08-31T10:09:28,023 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5 2025-08-31T10:09:28,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75 2025-08-31T10:09:28,027 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75 2025-08-31T10:09:28,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+ 2025-08-31T10:09:28,030 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+ 2025-08-31T10:09:28,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23 2025-08-31T10:09:28,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p 2025-08-31T10:09:28,036 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p 2025-08-31T10:09:28,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m 2025-08-31T10:09:28,039 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m 2025-08-31T10:09:28,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a 2025-08-31T10:09:28,043 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a 2025-08-31T10:09:28,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z 2025-08-31T10:09:28,047 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z 2025-08-31T10:09:28,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b 2025-08-31T10:09:28,051 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b 2025-08-31T10:09:28,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e 2025-08-31T10:09:28,055 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e 2025-08-31T10:09:28,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a 2025-08-31T10:09:28,058 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a 2025-08-31T10:09:28,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h 2025-08-31T10:09:28,062 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h 2025-08-31T10:09:28,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a 2025-08-31T10:09:28,065 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a 2025-08-31T10:09:28,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a 2025-08-31T10:09:28,068 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a 2025-08-31T10:09:28,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d 2025-08-31T10:09:28,072 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d 2025-08-31T10:09:28,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g 2025-08-31T10:09:28,076 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g 2025-08-31T10:09:28,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p 2025-08-31T10:09:28,079 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p 2025-08-31T10:09:28,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a 2025-08-31T10:09:28,083 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a 2025-08-31T10:09:28,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a 2025-08-31T10:09:28,086 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a 2025-08-31T10:09:28,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f 2025-08-31T10:09:28,090 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f 2025-08-31T10:09:28,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b 2025-08-31T10:09:28,093 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b 2025-08-31T10:09:28,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p 2025-08-31T10:09:28,097 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p 2025-08-31T10:09:28,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c 2025-08-31T10:09:28,101 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c 2025-08-31T10:09:28,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b 2025-08-31T10:09:28,105 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b 2025-08-31T10:09:28,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d 2025-08-31T10:09:28,108 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d 2025-08-31T10:09:28,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p 2025-08-31T10:09:28,112 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p 2025-08-31T10:09:28,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b 2025-08-31T10:09:28,115 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b 2025-08-31T10:09:28,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa 2025-08-31T10:09:28,118 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa 2025-08-31T10:09:28,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO 2025-08-31T10:09:28,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4 2025-08-31T10:09:28,123 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4 2025-08-31T10:09:28,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8 2025-08-31T10:09:28,127 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8 2025-08-31T10:09:28,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3 2025-08-31T10:09:28,130 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3 2025-08-31T10:09:28,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10 2025-08-31T10:09:28,134 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10 2025-08-31T10:09:28,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7 2025-08-31T10:09:28,137 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7 2025-08-31T10:09:28,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6 2025-08-31T10:09:28,141 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6 2025-08-31T10:09:28,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1 2025-08-31T10:09:28,144 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1 2025-08-31T10:09:28,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2 2025-08-31T10:09:28,148 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2 2025-08-31T10:09:28,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5 2025-08-31T10:09:28,151 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5 2025-08-31T10:09:28,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9 2025-08-31T10:09:28,155 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9 2025-08-31T10:09:28,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15 2025-08-31T10:09:28,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a 2025-08-31T10:09:28,160 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a 2025-08-31T10:09:28,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b 2025-08-31T10:09:28,163 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b 2025-08-31T10:09:28,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a 2025-08-31T10:09:28,167 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a 2025-08-31T10:09:28,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a 2025-08-31T10:09:28,170 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a 2025-08-31T10:09:28,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b 2025-08-31T10:09:28,174 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b 2025-08-31T10:09:28,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b 2025-08-31T10:09:28,177 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b 2025-08-31T10:09:28,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b 2025-08-31T10:09:28,181 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b 2025-08-31T10:09:28,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a 2025-08-31T10:09:28,185 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a 2025-08-31T10:09:28,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a 2025-08-31T10:09:28,188 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a 2025-08-31T10:09:28,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a 2025-08-31T10:09:28,192 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a 2025-08-31T10:09:28,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c 2025-08-31T10:09:28,195 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c 2025-08-31T10:09:28,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d 2025-08-31T10:09:28,199 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d 2025-08-31T10:09:28,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d 2025-08-31T10:09:28,203 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d 2025-08-31T10:09:28,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a 2025-08-31T10:09:28,207 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a 2025-08-31T10:09:28,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a 2025-08-31T10:09:28,211 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a 2025-08-31T10:09:28,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a 2025-08-31T10:09:28,215 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a 2025-08-31T10:09:28,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b 2025-08-31T10:09:28,218 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b 2025-08-31T10:09:28,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b 2025-08-31T10:09:28,222 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b 2025-08-31T10:09:28,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b 2025-08-31T10:09:28,225 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b 2025-08-31T10:09:28,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a 2025-08-31T10:09:28,229 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a 2025-08-31T10:09:28,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b 2025-08-31T10:09:28,232 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b 2025-08-31T10:09:28,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c 2025-08-31T10:09:28,235 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c 2025-08-31T10:09:28,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b 2025-08-31T10:09:28,239 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b 2025-08-31T10:09:28,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b 2025-08-31T10:09:28,242 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b 2025-08-31T10:09:28,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c 2025-08-31T10:09:28,246 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c 2025-08-31T10:09:28,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51 2025-08-31T10:09:28,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2 2025-08-31T10:09:28,252 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2 2025-08-31T10:09:28,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene 2025-08-31T10:09:28,255 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene 2025-08-31T10:09:28,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11 2025-08-31T10:09:28,259 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11 2025-08-31T10:09:28,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S 2025-08-31T10:09:28,262 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S 2025-08-31T10:09:28,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H 2025-08-31T10:09:28,266 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H 2025-08-31T10:09:28,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane 2025-08-31T10:09:28,269 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane 2025-08-31T10:09:28,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane 2025-08-31T10:09:28,272 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane 2025-08-31T10:09:28,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole 2025-08-31T10:09:28,276 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole 2025-08-31T10:09:28,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H 2025-08-31T10:09:28,279 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H 2025-08-31T10:09:28,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3 2025-08-31T10:09:28,282 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3 2025-08-31T10:09:28,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2 2025-08-31T10:09:28,286 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2 2025-08-31T10:09:28,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol 2025-08-31T10:09:28,289 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol 2025-08-31T10:09:28,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole 2025-08-31T10:09:28,293 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole 2025-08-31T10:09:28,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2 2025-08-31T10:09:28,296 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2 2025-08-31T10:09:28,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene 2025-08-31T10:09:28,300 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene 2025-08-31T10:09:28,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole 2025-08-31T10:09:28,303 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole 2025-08-31T10:09:28,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH 2025-08-31T10:09:28,307 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH 2025-08-31T10:09:28,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine 2025-08-31T10:09:28,310 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine 2025-08-31T10:09:28,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene 2025-08-31T10:09:28,313 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene 2025-08-31T10:09:28,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2 2025-08-31T10:09:28,316 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2 2025-08-31T10:09:28,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane 2025-08-31T10:09:28,320 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane 2025-08-31T10:09:28,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene 2025-08-31T10:09:28,323 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene 2025-08-31T10:09:28,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO 2025-08-31T10:09:28,326 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO 2025-08-31T10:09:28,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane 2025-08-31T10:09:28,329 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane 2025-08-31T10:09:28,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2 2025-08-31T10:09:28,333 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2 2025-08-31T10:09:28,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2 2025-08-31T10:09:28,336 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2 2025-08-31T10:09:28,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran 2025-08-31T10:09:28,340 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran 2025-08-31T10:09:28,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN 2025-08-31T10:09:28,343 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN 2025-08-31T10:09:28,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane 2025-08-31T10:09:28,347 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane 2025-08-31T10:09:28,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2 2025-08-31T10:09:28,350 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2 2025-08-31T10:09:28,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole 2025-08-31T10:09:28,354 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole 2025-08-31T10:09:28,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene 2025-08-31T10:09:28,357 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene 2025-08-31T10:09:28,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2 2025-08-31T10:09:28,360 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2 2025-08-31T10:09:28,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO 2025-08-31T10:09:28,364 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO 2025-08-31T10:09:28,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol 2025-08-31T10:09:28,367 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol 2025-08-31T10:09:28,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene 2025-08-31T10:09:28,371 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene 2025-08-31T10:09:28,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2 2025-08-31T10:09:28,374 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2 2025-08-31T10:09:28,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3 2025-08-31T10:09:28,378 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3 2025-08-31T10:09:28,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone 2025-08-31T10:09:28,381 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone 2025-08-31T10:09:28,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone 2025-08-31T10:09:28,385 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone 2025-08-31T10:09:28,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2 2025-08-31T10:09:28,388 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2 2025-08-31T10:09:28,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne 2025-08-31T10:09:28,392 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne 2025-08-31T10:09:28,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane 2025-08-31T10:09:28,395 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane 2025-08-31T10:09:28,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H 2025-08-31T10:09:28,399 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H 2025-08-31T10:09:28,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine 2025-08-31T10:09:28,402 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine 2025-08-31T10:09:28,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2 2025-08-31T10:09:28,406 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2 2025-08-31T10:09:28,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2 2025-08-31T10:09:28,409 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2 2025-08-31T10:09:28,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2 2025-08-31T10:09:28,412 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2 2025-08-31T10:09:28,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2 2025-08-31T10:09:28,415 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2 2025-08-31T10:09:28,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene 2025-08-31T10:09:28,419 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene 2025-08-31T10:09:28,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO 2025-08-31T10:09:28,422 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO 2025-08-31T10:09:28,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2 2025-08-31T10:09:28,426 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2 2025-08-31T10:09:28,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne 2025-08-31T10:09:28,429 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne 2025-08-31T10:09:28,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane 2025-08-31T10:09:28,432 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane 2025-08-31T10:09:28,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3 2025-08-31T10:09:28,436 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3 2025-08-31T10:09:28,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2 2025-08-31T10:09:28,439 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2 2025-08-31T10:09:28,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne 2025-08-31T10:09:28,442 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne 2025-08-31T10:09:28,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO 2025-08-31T10:09:28,446 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO 2025-08-31T10:09:28,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O 2025-08-31T10:09:28,449 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O 2025-08-31T10:09:28,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane 2025-08-31T10:09:28,452 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane 2025-08-31T10:09:28,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2 2025-08-31T10:09:28,456 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2 2025-08-31T10:09:28,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2025-08-31T10:09:28,459 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2025-08-31T10:09:28,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3 2025-08-31T10:09:28,462 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3 2025-08-31T10:09:28,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene 2025-08-31T10:09:28,466 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene 2025-08-31T10:09:28,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane 2025-08-31T10:09:28,469 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane 2025-08-31T10:09:28,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne 2025-08-31T10:09:28,473 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne 2025-08-31T10:09:28,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol 2025-08-31T10:09:28,476 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol 2025-08-31T10:09:28,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane 2025-08-31T10:09:28,480 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane 2025-08-31T10:09:28,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H 2025-08-31T10:09:28,483 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H 2025-08-31T10:09:28,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione 2025-08-31T10:09:28,487 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione 2025-08-31T10:09:28,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H 2025-08-31T10:09:28,490 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H 2025-08-31T10:09:28,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene 2025-08-31T10:09:28,494 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene 2025-08-31T10:09:28,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN 2025-08-31T10:09:28,497 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN 2025-08-31T10:09:28,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran 2025-08-31T10:09:28,500 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran 2025-08-31T10:09:28,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene 2025-08-31T10:09:28,504 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene 2025-08-31T10:09:28,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO 2025-08-31T10:09:28,507 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO 2025-08-31T10:09:28,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl 2025-08-31T10:09:28,510 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl 2025-08-31T10:09:28,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3 2025-08-31T10:09:28,514 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3 2025-08-31T10:09:28,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene 2025-08-31T10:09:28,517 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene 2025-08-31T10:09:28,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene 2025-08-31T10:09:28,520 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene 2025-08-31T10:09:28,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO 2025-08-31T10:09:28,524 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO 2025-08-31T10:09:28,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2 2025-08-31T10:09:28,527 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2 2025-08-31T10:09:28,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2 2025-08-31T10:09:28,531 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2 2025-08-31T10:09:28,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O 2025-08-31T10:09:28,534 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O 2025-08-31T10:09:28,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol 2025-08-31T10:09:28,538 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol 2025-08-31T10:09:28,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2025-08-31T10:09:28,542 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2025-08-31T10:09:28,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO 2025-08-31T10:09:28,545 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO 2025-08-31T10:09:28,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43 2025-08-31T10:09:28,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5 2025-08-31T10:09:28,551 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5 2025-08-31T10:09:28,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29 2025-08-31T10:09:28,554 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29 2025-08-31T10:09:28,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45 2025-08-31T10:09:28,558 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45 2025-08-31T10:09:28,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1 2025-08-31T10:09:28,561 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1 2025-08-31T10:09:28,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13 2025-08-31T10:09:28,565 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13 2025-08-31T10:09:28,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35 2025-08-31T10:09:28,568 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35 2025-08-31T10:09:28,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40 2025-08-31T10:09:28,571 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40 2025-08-31T10:09:28,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17 2025-08-31T10:09:28,575 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17 2025-08-31T10:09:28,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18 2025-08-31T10:09:28,578 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18 2025-08-31T10:09:28,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17 2025-08-31T10:09:28,581 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17 2025-08-31T10:09:28,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36 2025-08-31T10:09:28,585 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36 2025-08-31T10:09:28,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15 2025-08-31T10:09:28,588 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15 2025-08-31T10:09:28,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32 2025-08-31T10:09:28,591 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32 2025-08-31T10:09:28,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42 2025-08-31T10:09:28,595 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42 2025-08-31T10:09:28,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12 2025-08-31T10:09:28,599 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12 2025-08-31T10:09:28,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40 2025-08-31T10:09:28,602 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40 2025-08-31T10:09:28,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5 2025-08-31T10:09:28,606 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5 2025-08-31T10:09:28,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6 2025-08-31T10:09:28,610 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6 2025-08-31T10:09:28,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28 2025-08-31T10:09:28,613 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28 2025-08-31T10:09:28,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36 2025-08-31T10:09:28,617 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36 2025-08-31T10:09:28,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22 2025-08-31T10:09:28,620 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22 2025-08-31T10:09:28,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33 2025-08-31T10:09:28,624 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33 2025-08-31T10:09:28,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44 2025-08-31T10:09:28,627 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44 2025-08-31T10:09:28,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18 2025-08-31T10:09:28,631 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18 2025-08-31T10:09:28,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7 2025-08-31T10:09:28,634 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7 2025-08-31T10:09:28,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20 2025-08-31T10:09:28,637 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20 2025-08-31T10:09:28,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25 2025-08-31T10:09:28,641 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25 2025-08-31T10:09:28,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23 2025-08-31T10:09:28,644 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23 2025-08-31T10:09:28,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8 2025-08-31T10:09:28,647 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8 2025-08-31T10:09:28,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3 2025-08-31T10:09:28,650 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3 2025-08-31T10:09:28,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4 2025-08-31T10:09:28,654 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4 2025-08-31T10:09:28,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7 2025-08-31T10:09:28,658 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7 2025-08-31T10:09:28,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19 2025-08-31T10:09:28,661 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19 2025-08-31T10:09:28,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27 2025-08-31T10:09:28,664 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27 2025-08-31T10:09:28,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30 2025-08-31T10:09:28,667 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30 2025-08-31T10:09:28,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33 2025-08-31T10:09:28,671 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33 2025-08-31T10:09:28,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9 2025-08-31T10:09:28,674 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9 2025-08-31T10:09:28,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27 2025-08-31T10:09:28,677 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27 2025-08-31T10:09:28,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43 2025-08-31T10:09:28,681 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43 2025-08-31T10:09:28,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25 2025-08-31T10:09:28,684 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25 2025-08-31T10:09:28,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16 2025-08-31T10:09:28,688 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16 2025-08-31T10:09:28,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21 2025-08-31T10:09:28,691 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21 2025-08-31T10:09:28,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12 2025-08-31T10:09:28,695 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12 2025-08-31T10:09:28,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43 2025-08-31T10:09:28,698 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43 2025-08-31T10:09:28,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6 2025-08-31T10:09:28,702 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6 2025-08-31T10:09:28,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39 2025-08-31T10:09:28,705 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39 2025-08-31T10:09:28,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31 2025-08-31T10:09:28,709 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31 2025-08-31T10:09:28,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4 2025-08-31T10:09:28,712 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4 2025-08-31T10:09:28,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16 2025-08-31T10:09:28,715 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16 2025-08-31T10:09:28,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2 2025-08-31T10:09:28,719 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2 2025-08-31T10:09:28,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20 2025-08-31T10:09:28,722 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20 2025-08-31T10:09:28,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35 2025-08-31T10:09:28,725 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35 2025-08-31T10:09:28,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37 2025-08-31T10:09:28,729 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37 2025-08-31T10:09:28,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13 2025-08-31T10:09:28,732 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13 2025-08-31T10:09:28,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39 2025-08-31T10:09:28,735 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39 2025-08-31T10:09:28,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30 2025-08-31T10:09:28,739 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30 2025-08-31T10:09:28,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24 2025-08-31T10:09:28,742 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24 2025-08-31T10:09:28,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42 2025-08-31T10:09:28,746 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42 2025-08-31T10:09:28,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34 2025-08-31T10:09:28,749 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34 2025-08-31T10:09:28,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24 2025-08-31T10:09:28,752 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24 2025-08-31T10:09:28,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19 2025-08-31T10:09:28,756 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19 2025-08-31T10:09:28,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34 2025-08-31T10:09:28,759 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34 2025-08-31T10:09:28,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31 2025-08-31T10:09:28,763 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31 2025-08-31T10:09:28,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38 2025-08-31T10:09:28,766 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38 2025-08-31T10:09:28,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22 2025-08-31T10:09:28,769 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22 2025-08-31T10:09:28,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8 2025-08-31T10:09:28,773 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8 2025-08-31T10:09:28,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23 2025-08-31T10:09:28,776 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23 2025-08-31T10:09:28,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1 2025-08-31T10:09:28,780 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1 2025-08-31T10:09:28,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26 2025-08-31T10:09:28,783 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26 2025-08-31T10:09:28,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38 2025-08-31T10:09:28,786 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38 2025-08-31T10:09:28,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10 2025-08-31T10:09:28,790 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10 2025-08-31T10:09:28,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41 2025-08-31T10:09:28,793 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41 2025-08-31T10:09:28,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45 2025-08-31T10:09:28,796 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45 2025-08-31T10:09:28,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21 2025-08-31T10:09:28,799 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21 2025-08-31T10:09:28,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37 2025-08-31T10:09:28,805 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37 2025-08-31T10:09:28,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9 2025-08-31T10:09:28,808 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9 2025-08-31T10:09:28,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11 2025-08-31T10:09:28,811 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11 2025-08-31T10:09:28,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32 2025-08-31T10:09:28,814 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32 2025-08-31T10:09:28,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15 2025-08-31T10:09:28,818 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15 2025-08-31T10:09:28,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28 2025-08-31T10:09:28,821 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28 2025-08-31T10:09:28,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26 2025-08-31T10:09:28,825 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26 2025-08-31T10:09:28,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29 2025-08-31T10:09:28,828 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29 2025-08-31T10:09:28,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3 2025-08-31T10:09:28,831 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3 2025-08-31T10:09:28,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41 2025-08-31T10:09:28,835 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41 2025-08-31T10:09:28,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2 2025-08-31T10:09:28,838 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2 2025-08-31T10:09:28,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44 2025-08-31T10:09:28,841 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44 2025-08-31T10:09:28,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10 2025-08-31T10:09:28,844 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10 2025-08-31T10:09:28,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11 2025-08-31T10:09:28,848 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11 2025-08-31T10:09:28,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10 2025-08-31T10:09:28,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio 2025-08-31T10:09:28,853 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio 2025-08-31T10:09:28,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf 2025-08-31T10:09:28,857 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf 2025-08-31T10:09:28,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k 2025-08-31T10:09:28,860 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k 2025-08-31T10:09:28,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be 2025-08-31T10:09:28,863 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be 2025-08-31T10:09:28,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s 2025-08-31T10:09:28,867 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s 2025-08-31T10:09:28,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf 2025-08-31T10:09:28,870 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf 2025-08-31T10:09:28,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo 2025-08-31T10:09:28,874 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo 2025-08-31T10:09:28,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o 2025-08-31T10:09:28,877 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o 2025-08-31T10:09:28,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo 2025-08-31T10:09:28,881 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo 2025-08-31T10:09:28,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs 2025-08-31T10:09:28,884 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs 2025-08-31T10:09:28,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao 2025-08-31T10:09:28,888 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao 2025-08-31T10:09:28,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao 2025-08-31T10:09:28,892 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao 2025-08-31T10:09:28,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg 2025-08-31T10:09:28,895 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg 2025-08-31T10:09:28,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li 2025-08-31T10:09:28,898 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li 2025-08-31T10:09:28,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h 2025-08-31T10:09:28,901 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h 2025-08-31T10:09:28,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca 2025-08-31T10:09:28,905 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca 2025-08-31T10:09:28,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na 2025-08-31T10:09:28,908 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na 2025-08-31T10:09:28,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif 2025-08-31T10:09:28,911 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif 2025-08-31T10:09:28,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f 2025-08-31T10:09:28,915 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f 2025-08-31T10:09:28,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef 2025-08-31T10:09:28,918 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef 2025-08-31T10:09:28,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC 2025-08-31T10:09:28,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121 2025-08-31T10:09:28,925 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121 2025-08-31T10:09:28,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94 2025-08-31T10:09:28,928 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94 2025-08-31T10:09:28,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68 2025-08-31T10:09:28,931 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68 2025-08-31T10:09:28,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23 2025-08-31T10:09:28,935 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23 2025-08-31T10:09:28,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8 2025-08-31T10:09:28,938 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8 2025-08-31T10:09:28,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30 2025-08-31T10:09:28,942 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30 2025-08-31T10:09:28,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57 2025-08-31T10:09:28,945 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57 2025-08-31T10:09:28,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106 2025-08-31T10:09:28,948 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106 2025-08-31T10:09:28,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56 2025-08-31T10:09:28,951 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56 2025-08-31T10:09:28,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60 2025-08-31T10:09:28,954 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60 2025-08-31T10:09:28,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61 2025-08-31T10:09:28,958 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61 2025-08-31T10:09:28,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88 2025-08-31T10:09:28,961 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88 2025-08-31T10:09:28,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126 2025-08-31T10:09:28,964 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126 2025-08-31T10:09:28,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34 2025-08-31T10:09:28,968 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34 2025-08-31T10:09:28,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113 2025-08-31T10:09:28,971 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113 2025-08-31T10:09:28,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73 2025-08-31T10:09:28,974 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73 2025-08-31T10:09:28,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118 2025-08-31T10:09:28,978 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118 2025-08-31T10:09:28,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97 2025-08-31T10:09:28,981 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97 2025-08-31T10:09:28,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67 2025-08-31T10:09:28,984 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67 2025-08-31T10:09:28,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22 2025-08-31T10:09:28,988 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22 2025-08-31T10:09:28,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18 2025-08-31T10:09:28,991 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18 2025-08-31T10:09:28,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52 2025-08-31T10:09:28,994 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52 2025-08-31T10:09:28,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59 2025-08-31T10:09:28,998 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59 2025-08-31T10:09:29,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40 2025-08-31T10:09:29,001 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40 2025-08-31T10:09:29,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47 2025-08-31T10:09:29,004 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47 2025-08-31T10:09:29,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21 2025-08-31T10:09:29,008 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21 2025-08-31T10:09:29,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66 2025-08-31T10:09:29,011 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66 2025-08-31T10:09:29,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13 2025-08-31T10:09:29,014 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13 2025-08-31T10:09:29,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58 2025-08-31T10:09:29,017 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58 2025-08-31T10:09:29,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25 2025-08-31T10:09:29,021 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25 2025-08-31T10:09:29,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32 2025-08-31T10:09:29,024 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32 2025-08-31T10:09:29,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6 2025-08-31T10:09:29,027 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6 2025-08-31T10:09:29,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14 2025-08-31T10:09:29,031 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14 2025-08-31T10:09:29,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1 2025-08-31T10:09:29,034 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1 2025-08-31T10:09:29,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24 2025-08-31T10:09:29,037 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24 2025-08-31T10:09:29,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45 2025-08-31T10:09:29,040 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45 2025-08-31T10:09:29,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26 2025-08-31T10:09:29,044 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26 2025-08-31T10:09:29,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104 2025-08-31T10:09:29,047 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104 2025-08-31T10:09:29,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100 2025-08-31T10:09:29,050 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100 2025-08-31T10:09:29,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33 2025-08-31T10:09:29,054 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33 2025-08-31T10:09:29,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51 2025-08-31T10:09:29,057 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51 2025-08-31T10:09:29,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39 2025-08-31T10:09:29,060 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39 2025-08-31T10:09:29,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117 2025-08-31T10:09:29,064 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117 2025-08-31T10:09:29,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128 2025-08-31T10:09:29,067 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128 2025-08-31T10:09:29,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82 2025-08-31T10:09:29,070 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82 2025-08-31T10:09:29,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62 2025-08-31T10:09:29,074 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62 2025-08-31T10:09:29,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11 2025-08-31T10:09:29,077 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11 2025-08-31T10:09:29,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA 2025-08-31T10:09:29,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n 2025-08-31T10:09:29,083 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n 2025-08-31T10:09:29,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n 2025-08-31T10:09:29,086 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n 2025-08-31T10:09:29,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s 2025-08-31T10:09:29,090 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s 2025-08-31T10:09:29,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10 2025-08-31T10:09:29,093 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10 2025-08-31T10:09:29,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11 2025-08-31T10:09:29,096 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11 2025-08-31T10:09:29,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8 2025-08-31T10:09:29,099 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8 2025-08-31T10:09:29,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n 2025-08-31T10:09:29,102 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n 2025-08-31T10:09:29,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16 2025-08-31T10:09:29,106 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16 2025-08-31T10:09:29,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n 2025-08-31T10:09:29,109 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n 2025-08-31T10:09:29,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n 2025-08-31T10:09:29,113 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n 2025-08-31T10:09:29,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13 2025-08-31T10:09:29,116 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13 2025-08-31T10:09:29,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20 2025-08-31T10:09:29,119 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20 2025-08-31T10:09:29,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19 2025-08-31T10:09:29,123 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19 2025-08-31T10:09:29,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n 2025-08-31T10:09:29,126 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n 2025-08-31T10:09:29,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n 2025-08-31T10:09:29,129 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n 2025-08-31T10:09:29,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p- 2025-08-31T10:09:29,133 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p- 2025-08-31T10:09:29,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c- 2025-08-31T10:09:29,136 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c- 2025-08-31T10:09:29,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o- 2025-08-31T10:09:29,139 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o- 2025-08-31T10:09:29,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22 2025-08-31T10:09:29,142 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22 2025-08-31T10:09:29,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23 2025-08-31T10:09:29,146 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23 2025-08-31T10:09:29,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12 2025-08-31T10:09:29,149 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12 2025-08-31T10:09:29,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si 2025-08-31T10:09:29,152 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si 2025-08-31T10:09:29,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl 2025-08-31T10:09:29,156 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl 2025-08-31T10:09:29,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9 2025-08-31T10:09:29,159 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9 2025-08-31T10:09:29,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15 2025-08-31T10:09:29,162 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15 2025-08-31T10:09:29,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25 2025-08-31T10:09:29,166 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25 2025-08-31T10:09:29,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si- 2025-08-31T10:09:29,169 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si- 2025-08-31T10:09:29,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n 2025-08-31T10:09:29,172 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n 2025-08-31T10:09:29,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl- 2025-08-31T10:09:29,176 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl- 2025-08-31T10:09:29,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n 2025-08-31T10:09:29,179 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n 2025-08-31T10:09:29,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f- 2025-08-31T10:09:29,183 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f- 2025-08-31T10:09:29,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f 2025-08-31T10:09:29,186 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f 2025-08-31T10:09:29,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14 2025-08-31T10:09:29,189 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14 2025-08-31T10:09:29,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c 2025-08-31T10:09:29,192 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c 2025-08-31T10:09:29,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17 2025-08-31T10:09:29,196 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17 2025-08-31T10:09:29,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n 2025-08-31T10:09:29,199 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n 2025-08-31T10:09:29,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n 2025-08-31T10:09:29,203 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n 2025-08-31T10:09:29,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n 2025-08-31T10:09:29,206 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n 2025-08-31T10:09:29,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n 2025-08-31T10:09:29,210 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n 2025-08-31T10:09:29,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s- 2025-08-31T10:09:29,213 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s- 2025-08-31T10:09:29,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n 2025-08-31T10:09:29,216 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n 2025-08-31T10:09:29,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n 2025-08-31T10:09:29,220 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n 2025-08-31T10:09:29,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n 2025-08-31T10:09:29,223 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n 2025-08-31T10:09:29,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o 2025-08-31T10:09:29,227 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o 2025-08-31T10:09:29,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n 2025-08-31T10:09:29,230 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n 2025-08-31T10:09:29,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p 2025-08-31T10:09:29,233 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p 2025-08-31T10:09:29,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24 2025-08-31T10:09:29,237 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24 2025-08-31T10:09:29,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18 2025-08-31T10:09:29,240 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18 2025-08-31T10:09:29,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n 2025-08-31T10:09:29,243 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n 2025-08-31T10:09:29,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21 2025-08-31T10:09:29,246 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21 2025-08-31T10:09:29,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6 2025-08-31T10:09:29,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5 2025-08-31T10:09:29,251 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5 2025-08-31T10:09:29,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5 2025-08-31T10:09:29,255 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5 2025-08-31T10:09:29,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3 2025-08-31T10:09:29,258 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3 2025-08-31T10:09:29,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7 2025-08-31T10:09:29,262 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7 2025-08-31T10:09:29,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4 2025-08-31T10:09:29,265 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4 2025-08-31T10:09:29,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6 2025-08-31T10:09:29,268 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6 2025-08-31T10:09:29,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2 2025-08-31T10:09:29,272 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2 2025-08-31T10:09:29,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6 2025-08-31T10:09:29,275 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6 2025-08-31T10:09:29,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7 2025-08-31T10:09:29,279 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7 2025-08-31T10:09:29,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4 2025-08-31T10:09:29,282 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4 2025-08-31T10:09:29,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3 2025-08-31T10:09:29,285 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3 2025-08-31T10:09:29,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2 2025-08-31T10:09:29,289 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2 2025-08-31T10:09:29,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13 2025-08-31T10:09:29,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3 2025-08-31T10:09:29,294 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3 2025-08-31T10:09:29,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4 2025-08-31T10:09:29,297 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4 2025-08-31T10:09:29,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5 2025-08-31T10:09:29,301 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5 2025-08-31T10:09:29,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4 2025-08-31T10:09:29,304 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4 2025-08-31T10:09:29,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts 2025-08-31T10:09:29,308 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts 2025-08-31T10:09:29,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts 2025-08-31T10:09:29,311 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts 2025-08-31T10:09:29,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o 2025-08-31T10:09:29,314 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o 2025-08-31T10:09:29,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3 2025-08-31T10:09:29,318 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3 2025-08-31T10:09:29,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6 2025-08-31T10:09:29,321 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6 2025-08-31T10:09:29,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2 2025-08-31T10:09:29,325 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2 2025-08-31T10:09:29,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf 2025-08-31T10:09:29,328 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf 2025-08-31T10:09:29,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5 2025-08-31T10:09:29,331 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5 2025-08-31T10:09:29,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts 2025-08-31T10:09:29,335 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts 2025-08-31T10:09:29,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2 2025-08-31T10:09:29,338 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2 2025-08-31T10:09:29,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts 2025-08-31T10:09:29,341 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts 2025-08-31T10:09:29,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4 2025-08-31T10:09:29,345 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4 2025-08-31T10:09:29,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3 2025-08-31T10:09:29,348 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3 2025-08-31T10:09:29,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts 2025-08-31T10:09:29,351 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts 2025-08-31T10:09:29,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6 2025-08-31T10:09:29,355 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6 2025-08-31T10:09:29,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts 2025-08-31T10:09:29,358 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts 2025-08-31T10:09:29,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts 2025-08-31T10:09:29,362 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts 2025-08-31T10:09:29,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts 2025-08-31T10:09:29,366 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts 2025-08-31T10:09:29,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts 2025-08-31T10:09:29,369 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts 2025-08-31T10:09:29,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts 2025-08-31T10:09:29,372 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts 2025-08-31T10:09:29,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts 2025-08-31T10:09:29,376 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts 2025-08-31T10:09:29,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts 2025-08-31T10:09:29,380 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts 2025-08-31T10:09:29,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2 2025-08-31T10:09:29,383 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2 2025-08-31T10:09:29,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3 2025-08-31T10:09:29,386 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3 2025-08-31T10:09:29,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts 2025-08-31T10:09:29,389 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts 2025-08-31T10:09:29,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC 2025-08-31T10:09:29,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1 2025-08-31T10:09:29,394 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1 2025-08-31T10:09:29,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH 2025-08-31T10:09:29,398 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH 2025-08-31T10:09:29,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein 2025-08-31T10:09:29,401 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein 2025-08-31T10:09:29,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X 2025-08-31T10:09:29,404 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X 2025-08-31T10:09:29,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5 2025-08-31T10:09:29,408 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5 2025-08-31T10:09:29,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene 2025-08-31T10:09:29,411 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene 2025-08-31T10:09:29,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7 2025-08-31T10:09:29,415 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7 2025-08-31T10:09:29,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8 2025-08-31T10:09:29,420 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8 2025-08-31T10:09:29,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane 2025-08-31T10:09:29,424 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane 2025-08-31T10:09:29,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3 2025-08-31T10:09:29,429 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3 2025-08-31T10:09:29,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6 2025-08-31T10:09:29,432 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6 2025-08-31T10:09:29,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4 2025-08-31T10:09:29,436 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4 2025-08-31T10:09:29,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine 2025-08-31T10:09:29,439 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine 2025-08-31T10:09:29,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X 2025-08-31T10:09:29,442 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X 2025-08-31T10:09:29,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X 2025-08-31T10:09:29,445 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X 2025-08-31T10:09:29,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene 2025-08-31T10:09:29,449 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene 2025-08-31T10:09:29,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10 2025-08-31T10:09:29,453 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10 2025-08-31T10:09:29,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene 2025-08-31T10:09:29,457 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene 2025-08-31T10:09:29,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene 2025-08-31T10:09:29,461 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene 2025-08-31T10:09:29,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9 2025-08-31T10:09:29,466 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9 2025-08-31T10:09:29,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2 2025-08-31T10:09:29,470 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2 2025-08-31T10:09:29,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X 2025-08-31T10:09:29,474 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X 2025-08-31T10:09:29,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27 2025-08-31T10:09:29,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6 2025-08-31T10:09:29,481 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6 2025-08-31T10:09:29,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b 2025-08-31T10:09:29,485 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b 2025-08-31T10:09:29,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs 2025-08-31T10:09:29,490 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs 2025-08-31T10:09:29,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6 2025-08-31T10:09:29,494 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6 2025-08-31T10:09:29,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O 2025-08-31T10:09:29,499 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O 2025-08-31T10:09:29,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d 2025-08-31T10:09:29,503 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d 2025-08-31T10:09:29,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2 2025-08-31T10:09:29,507 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2 2025-08-31T10:09:29,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3 2025-08-31T10:09:29,510 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3 2025-08-31T10:09:29,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4 2025-08-31T10:09:29,513 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4 2025-08-31T10:09:29,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2 2025-08-31T10:09:29,517 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2 2025-08-31T10:09:29,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5 2025-08-31T10:09:29,520 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5 2025-08-31T10:09:29,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5 2025-08-31T10:09:29,523 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5 2025-08-31T10:09:29,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs 2025-08-31T10:09:29,527 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs 2025-08-31T10:09:29,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2 2025-08-31T10:09:29,530 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2 2025-08-31T10:09:29,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4 2025-08-31T10:09:29,534 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4 2025-08-31T10:09:29,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20 2025-08-31T10:09:29,537 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20 2025-08-31T10:09:29,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d 2025-08-31T10:09:29,540 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d 2025-08-31T10:09:29,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3 2025-08-31T10:09:29,543 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3 2025-08-31T10:09:29,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op 2025-08-31T10:09:29,547 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op 2025-08-31T10:09:29,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4 2025-08-31T10:09:29,550 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4 2025-08-31T10:09:29,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c 2025-08-31T10:09:29,554 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c 2025-08-31T10:09:29,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O 2025-08-31T10:09:29,558 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O 2025-08-31T10:09:29,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm 2025-08-31T10:09:29,562 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm 2025-08-31T10:09:29,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2 2025-08-31T10:09:29,567 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2 2025-08-31T10:09:29,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm 2025-08-31T10:09:29,571 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm 2025-08-31T10:09:29,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc 2025-08-31T10:09:29,575 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc 2025-08-31T10:09:29,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d 2025-08-31T10:09:29,579 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d 2025-08-31T10:09:29,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es 2025-08-31T10:09:29,584 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es 2025-08-31T10:09:29,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O 2025-08-31T10:09:29,588 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O 2025-08-31T10:09:29,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3 2025-08-31T10:09:29,591 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3 2025-08-31T10:09:29,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC 2025-08-31T10:09:29,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f- 2025-08-31T10:09:29,597 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f- 2025-08-31T10:09:29,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S 2025-08-31T10:09:29,601 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S 2025-08-31T10:09:29,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08 2025-08-31T10:09:29,604 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08 2025-08-31T10:09:29,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts 2025-08-31T10:09:29,608 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts 2025-08-31T10:09:29,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh 2025-08-31T10:09:29,611 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh 2025-08-31T10:09:29,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc 2025-08-31T10:09:29,614 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc 2025-08-31T10:09:29,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7 2025-08-31T10:09:29,618 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7 2025-08-31T10:09:29,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06 2025-08-31T10:09:29,621 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06 2025-08-31T10:09:29,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O 2025-08-31T10:09:29,624 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O 2025-08-31T10:09:29,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07 2025-08-31T10:09:29,628 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07 2025-08-31T10:09:29,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts 2025-08-31T10:09:29,631 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts 2025-08-31T10:09:29,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21 2025-08-31T10:09:29,635 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21 2025-08-31T10:09:29,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf 2025-08-31T10:09:29,638 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf 2025-08-31T10:09:29,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts 2025-08-31T10:09:29,641 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts 2025-08-31T10:09:29,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22 2025-08-31T10:09:29,645 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22 2025-08-31T10:09:29,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13 2025-08-31T10:09:29,648 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13 2025-08-31T10:09:29,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts 2025-08-31T10:09:29,651 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts 2025-08-31T10:09:29,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5 2025-08-31T10:09:29,655 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5 2025-08-31T10:09:29,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1 2025-08-31T10:09:29,658 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1 2025-08-31T10:09:29,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2 2025-08-31T10:09:29,661 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2 2025-08-31T10:09:29,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12 2025-08-31T10:09:29,665 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12 2025-08-31T10:09:29,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh- 2025-08-31T10:09:29,668 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh- 2025-08-31T10:09:29,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco 2025-08-31T10:09:29,672 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco 2025-08-31T10:09:29,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf 2025-08-31T10:09:29,675 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf 2025-08-31T10:09:29,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2 2025-08-31T10:09:29,678 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2 2025-08-31T10:09:29,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4 2025-08-31T10:09:29,682 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4 2025-08-31T10:09:29,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts 2025-08-31T10:09:29,685 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts 2025-08-31T10:09:29,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2 2025-08-31T10:09:29,689 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2 2025-08-31T10:09:29,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp 2025-08-31T10:09:29,692 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp 2025-08-31T10:09:29,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH 2025-08-31T10:09:29,695 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH 2025-08-31T10:09:29,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f 2025-08-31T10:09:29,698 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f 2025-08-31T10:09:29,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts 2025-08-31T10:09:29,701 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts 2025-08-31T10:09:29,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2 2025-08-31T10:09:29,705 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2 2025-08-31T10:09:29,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11 2025-08-31T10:09:29,708 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11 2025-08-31T10:09:29,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03 2025-08-31T10:09:29,711 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03 2025-08-31T10:09:29,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20 2025-08-31T10:09:29,715 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20 2025-08-31T10:09:29,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17 2025-08-31T10:09:29,718 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17 2025-08-31T10:09:29,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15 2025-08-31T10:09:29,722 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15 2025-08-31T10:09:29,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3 2025-08-31T10:09:29,725 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3 2025-08-31T10:09:29,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts 2025-08-31T10:09:29,728 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts 2025-08-31T10:09:29,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts 2025-08-31T10:09:29,732 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts 2025-08-31T10:09:29,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8 2025-08-31T10:09:29,735 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8 2025-08-31T10:09:29,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4 2025-08-31T10:09:29,739 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4 2025-08-31T10:09:29,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1 2025-08-31T10:09:29,742 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1 2025-08-31T10:09:29,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts 2025-08-31T10:09:29,745 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts 2025-08-31T10:09:29,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01 2025-08-31T10:09:29,749 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01 2025-08-31T10:09:29,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2 2025-08-31T10:09:29,752 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2 2025-08-31T10:09:29,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl- 2025-08-31T10:09:29,756 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl- 2025-08-31T10:09:29,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05 2025-08-31T10:09:29,759 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05 2025-08-31T10:09:29,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H 2025-08-31T10:09:29,763 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H 2025-08-31T10:09:29,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19 2025-08-31T10:09:29,766 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19 2025-08-31T10:09:29,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh 2025-08-31T10:09:29,770 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh 2025-08-31T10:09:29,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2 2025-08-31T10:09:29,773 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2 2025-08-31T10:09:29,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3 2025-08-31T10:09:29,777 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3 2025-08-31T10:09:29,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6 2025-08-31T10:09:29,781 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6 2025-08-31T10:09:29,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co 2025-08-31T10:09:29,785 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co 2025-08-31T10:09:29,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS 2025-08-31T10:09:29,788 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS 2025-08-31T10:09:29,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04 2025-08-31T10:09:29,792 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04 2025-08-31T10:09:29,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts 2025-08-31T10:09:29,797 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts 2025-08-31T10:09:29,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl 2025-08-31T10:09:29,801 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl 2025-08-31T10:09:29,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH 2025-08-31T10:09:29,804 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH 2025-08-31T10:09:29,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14 2025-08-31T10:09:29,808 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14 2025-08-31T10:09:29,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10 2025-08-31T10:09:29,811 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10 2025-08-31T10:09:29,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2 2025-08-31T10:09:29,814 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2 2025-08-31T10:09:29,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h 2025-08-31T10:09:29,818 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h 2025-08-31T10:09:29,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02 2025-08-31T10:09:29,821 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02 2025-08-31T10:09:29,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts 2025-08-31T10:09:29,825 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts 2025-08-31T10:09:29,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts 2025-08-31T10:09:29,828 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts 2025-08-31T10:09:29,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o 2025-08-31T10:09:29,832 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o 2025-08-31T10:09:29,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16 2025-08-31T10:09:29,835 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16 2025-08-31T10:09:29,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots 2025-08-31T10:09:29,839 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots 2025-08-31T10:09:29,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp 2025-08-31T10:09:29,842 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp 2025-08-31T10:09:29,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts 2025-08-31T10:09:29,846 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts 2025-08-31T10:09:29,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09 2025-08-31T10:09:29,849 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09 2025-08-31T10:09:29,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts 2025-08-31T10:09:29,853 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts 2025-08-31T10:09:29,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn 2025-08-31T10:09:29,856 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn 2025-08-31T10:09:29,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2 2025-08-31T10:09:29,860 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2 2025-08-31T10:09:29,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f 2025-08-31T10:09:29,863 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f 2025-08-31T10:09:29,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5 2025-08-31T10:09:29,867 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5 2025-08-31T10:09:29,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts 2025-08-31T10:09:29,870 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts 2025-08-31T10:09:29,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl 2025-08-31T10:09:29,873 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl 2025-08-31T10:09:29,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3 2025-08-31T10:09:29,877 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3 2025-08-31T10:09:29,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18 2025-08-31T10:09:29,880 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18 2025-08-31T10:09:29,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl 2025-08-31T10:09:29,884 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl 2025-08-31T10:09:29,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O 2025-08-31T10:09:29,887 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O 2025-08-31T10:09:29,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2 2025-08-31T10:09:29,891 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2 2025-08-31T10:09:29,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF 2025-08-31T10:09:29,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4 2025-08-31T10:09:29,896 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4 2025-08-31T10:09:29,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12 2025-08-31T10:09:29,900 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12 2025-08-31T10:09:29,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3 2025-08-31T10:09:29,903 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3 2025-08-31T10:09:29,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3 2025-08-31T10:09:29,907 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3 2025-08-31T10:09:29,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13 2025-08-31T10:09:29,910 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13 2025-08-31T10:09:29,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10 2025-08-31T10:09:29,914 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10 2025-08-31T10:09:29,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6 2025-08-31T10:09:29,917 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6 2025-08-31T10:09:29,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14 2025-08-31T10:09:29,920 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14 2025-08-31T10:09:29,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2 2025-08-31T10:09:29,924 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2 2025-08-31T10:09:29,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7 2025-08-31T10:09:29,927 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7 2025-08-31T10:09:29,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5 2025-08-31T10:09:29,931 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5 2025-08-31T10:09:29,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2 2025-08-31T10:09:29,934 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2 2025-08-31T10:09:29,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11 2025-08-31T10:09:29,938 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11 2025-08-31T10:09:29,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1 2025-08-31T10:09:29,941 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1 2025-08-31T10:09:29,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8 2025-08-31T10:09:29,945 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8 2025-08-31T10:09:29,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4 2025-08-31T10:09:29,948 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4 2025-08-31T10:09:29,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1 2025-08-31T10:09:29,951 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1 2025-08-31T10:09:29,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15 2025-08-31T10:09:29,955 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15 2025-08-31T10:09:29,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9 2025-08-31T10:09:29,958 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9 2025-08-31T10:09:29,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI 2025-08-31T10:09:29,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene 2025-08-31T10:09:29,964 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene 2025-08-31T10:09:29,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r 2025-08-31T10:09:29,967 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r 2025-08-31T10:09:29,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2 2025-08-31T10:09:29,971 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2 2025-08-31T10:09:29,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7 2025-08-31T10:09:29,974 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7 2025-08-31T10:09:29,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts 2025-08-31T10:09:29,977 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts 2025-08-31T10:09:29,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a 2025-08-31T10:09:29,981 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a 2025-08-31T10:09:29,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts 2025-08-31T10:09:29,985 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts 2025-08-31T10:09:29,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7 2025-08-31T10:09:29,988 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7 2025-08-31T10:09:29,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane 2025-08-31T10:09:29,991 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane 2025-08-31T10:09:29,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5 2025-08-31T10:09:29,995 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5 2025-08-31T10:09:29,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene 2025-08-31T10:09:29,998 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene 2025-08-31T10:09:30,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3 2025-08-31T10:09:30,001 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3 2025-08-31T10:09:30,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11 2025-08-31T10:09:30,005 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11 2025-08-31T10:09:30,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a 2025-08-31T10:09:30,008 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a 2025-08-31T10:09:30,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a 2025-08-31T10:09:30,011 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a 2025-08-31T10:09:30,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5 2025-08-31T10:09:30,015 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5 2025-08-31T10:09:30,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r 2025-08-31T10:09:30,018 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r 2025-08-31T10:09:30,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r 2025-08-31T10:09:30,021 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r 2025-08-31T10:09:30,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6 2025-08-31T10:09:30,025 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6 2025-08-31T10:09:30,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2025-08-31T10:09:30,028 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2025-08-31T10:09:30,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1 2025-08-31T10:09:30,032 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1 2025-08-31T10:09:30,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10 2025-08-31T10:09:30,035 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10 2025-08-31T10:09:30,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9 2025-08-31T10:09:30,038 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9 2025-08-31T10:09:30,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene 2025-08-31T10:09:30,042 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene 2025-08-31T10:09:30,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a 2025-08-31T10:09:30,045 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a 2025-08-31T10:09:30,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a 2025-08-31T10:09:30,048 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a 2025-08-31T10:09:30,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts 2025-08-31T10:09:30,052 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts 2025-08-31T10:09:30,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2025-08-31T10:09:30,055 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2025-08-31T10:09:30,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6 2025-08-31T10:09:30,059 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6 2025-08-31T10:09:30,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene 2025-08-31T10:09:30,062 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene 2025-08-31T10:09:30,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2025-08-31T10:09:30,066 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2025-08-31T10:09:30,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2025-08-31T10:09:30,069 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2025-08-31T10:09:30,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a 2025-08-31T10:09:30,073 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a 2025-08-31T10:09:30,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2025-08-31T10:09:30,076 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2025-08-31T10:09:30,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4 2025-08-31T10:09:30,080 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4 2025-08-31T10:09:30,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a 2025-08-31T10:09:30,084 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a 2025-08-31T10:09:30,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene 2025-08-31T10:09:30,087 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene 2025-08-31T10:09:30,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1 2025-08-31T10:09:30,090 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1 2025-08-31T10:09:30,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r 2025-08-31T10:09:30,094 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r 2025-08-31T10:09:30,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8 2025-08-31T10:09:30,097 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8 2025-08-31T10:09:30,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts 2025-08-31T10:09:30,101 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts 2025-08-31T10:09:30,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts 2025-08-31T10:09:30,104 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts 2025-08-31T10:09:30,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r 2025-08-31T10:09:30,108 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r 2025-08-31T10:09:30,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r 2025-08-31T10:09:30,111 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r 2025-08-31T10:09:30,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts 2025-08-31T10:09:30,115 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts 2025-08-31T10:09:30,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4 2025-08-31T10:09:30,118 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4 2025-08-31T10:09:30,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9 2025-08-31T10:09:30,122 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9 2025-08-31T10:09:30,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3 2025-08-31T10:09:30,126 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3 2025-08-31T10:09:30,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r 2025-08-31T10:09:30,129 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r 2025-08-31T10:09:30,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts 2025-08-31T10:09:30,133 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts 2025-08-31T10:09:30,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene 2025-08-31T10:09:30,136 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene 2025-08-31T10:09:30,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene 2025-08-31T10:09:30,140 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene 2025-08-31T10:09:30,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts 2025-08-31T10:09:30,143 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts 2025-08-31T10:09:30,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8 2025-08-31T10:09:30,146 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8 2025-08-31T10:09:30,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a 2025-08-31T10:09:30,150 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a 2025-08-31T10:09:30,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4 2025-08-31T10:09:30,153 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4 2025-08-31T10:09:30,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2 2025-08-31T10:09:30,157 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2 2025-08-31T10:09:30,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts 2025-08-31T10:09:30,161 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts 2025-08-31T10:09:30,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene 2025-08-31T10:09:30,164 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene 2025-08-31T10:09:30,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a 2025-08-31T10:09:30,168 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a 2025-08-31T10:09:30,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r 2025-08-31T10:09:30,171 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r 2025-08-31T10:09:30,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76 2025-08-31T10:09:30,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f- 2025-08-31T10:09:30,178 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f- 2025-08-31T10:09:30,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S 2025-08-31T10:09:30,181 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S 2025-08-31T10:09:30,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08 2025-08-31T10:09:30,185 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08 2025-08-31T10:09:30,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts 2025-08-31T10:09:30,188 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts 2025-08-31T10:09:30,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh 2025-08-31T10:09:30,191 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh 2025-08-31T10:09:30,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc 2025-08-31T10:09:30,195 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc 2025-08-31T10:09:30,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7 2025-08-31T10:09:30,198 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7 2025-08-31T10:09:30,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06 2025-08-31T10:09:30,202 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06 2025-08-31T10:09:30,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O 2025-08-31T10:09:30,205 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O 2025-08-31T10:09:30,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07 2025-08-31T10:09:30,209 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07 2025-08-31T10:09:30,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts 2025-08-31T10:09:30,212 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts 2025-08-31T10:09:30,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21 2025-08-31T10:09:30,216 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21 2025-08-31T10:09:30,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf 2025-08-31T10:09:30,219 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf 2025-08-31T10:09:30,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts 2025-08-31T10:09:30,223 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts 2025-08-31T10:09:30,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22 2025-08-31T10:09:30,226 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22 2025-08-31T10:09:30,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13 2025-08-31T10:09:30,230 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13 2025-08-31T10:09:30,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts 2025-08-31T10:09:30,233 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts 2025-08-31T10:09:30,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5 2025-08-31T10:09:30,237 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5 2025-08-31T10:09:30,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1 2025-08-31T10:09:30,240 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1 2025-08-31T10:09:30,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2 2025-08-31T10:09:30,244 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2 2025-08-31T10:09:30,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12 2025-08-31T10:09:30,247 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12 2025-08-31T10:09:30,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh- 2025-08-31T10:09:30,251 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh- 2025-08-31T10:09:30,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco 2025-08-31T10:09:30,254 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco 2025-08-31T10:09:30,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf 2025-08-31T10:09:30,258 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf 2025-08-31T10:09:30,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2 2025-08-31T10:09:30,261 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2 2025-08-31T10:09:30,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4 2025-08-31T10:09:30,265 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4 2025-08-31T10:09:30,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts 2025-08-31T10:09:30,268 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts 2025-08-31T10:09:30,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2 2025-08-31T10:09:30,272 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2 2025-08-31T10:09:30,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp 2025-08-31T10:09:30,275 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp 2025-08-31T10:09:30,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH 2025-08-31T10:09:30,279 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH 2025-08-31T10:09:30,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f 2025-08-31T10:09:30,282 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f 2025-08-31T10:09:30,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts 2025-08-31T10:09:30,285 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts 2025-08-31T10:09:30,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2 2025-08-31T10:09:30,289 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2 2025-08-31T10:09:30,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11 2025-08-31T10:09:30,292 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11 2025-08-31T10:09:30,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03 2025-08-31T10:09:30,295 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03 2025-08-31T10:09:30,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20 2025-08-31T10:09:30,299 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20 2025-08-31T10:09:30,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17 2025-08-31T10:09:30,302 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17 2025-08-31T10:09:30,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15 2025-08-31T10:09:30,305 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15 2025-08-31T10:09:30,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3 2025-08-31T10:09:30,309 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3 2025-08-31T10:09:30,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts 2025-08-31T10:09:30,312 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts 2025-08-31T10:09:30,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts 2025-08-31T10:09:30,315 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts 2025-08-31T10:09:30,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8 2025-08-31T10:09:30,319 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8 2025-08-31T10:09:30,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4 2025-08-31T10:09:30,322 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4 2025-08-31T10:09:30,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1 2025-08-31T10:09:30,325 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1 2025-08-31T10:09:30,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts 2025-08-31T10:09:30,329 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts 2025-08-31T10:09:30,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01 2025-08-31T10:09:30,332 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01 2025-08-31T10:09:30,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2 2025-08-31T10:09:30,335 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2 2025-08-31T10:09:30,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl- 2025-08-31T10:09:30,338 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl- 2025-08-31T10:09:30,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05 2025-08-31T10:09:30,342 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05 2025-08-31T10:09:30,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H 2025-08-31T10:09:30,345 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H 2025-08-31T10:09:30,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19 2025-08-31T10:09:30,348 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19 2025-08-31T10:09:30,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh 2025-08-31T10:09:30,352 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh 2025-08-31T10:09:30,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2 2025-08-31T10:09:30,356 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2 2025-08-31T10:09:30,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3 2025-08-31T10:09:30,359 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3 2025-08-31T10:09:30,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6 2025-08-31T10:09:30,363 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6 2025-08-31T10:09:30,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co 2025-08-31T10:09:30,366 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co 2025-08-31T10:09:30,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS 2025-08-31T10:09:30,369 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS 2025-08-31T10:09:30,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04 2025-08-31T10:09:30,373 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04 2025-08-31T10:09:30,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts 2025-08-31T10:09:30,376 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts 2025-08-31T10:09:30,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl 2025-08-31T10:09:30,380 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl 2025-08-31T10:09:30,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH 2025-08-31T10:09:30,383 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH 2025-08-31T10:09:30,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14 2025-08-31T10:09:30,386 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14 2025-08-31T10:09:30,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10 2025-08-31T10:09:30,389 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10 2025-08-31T10:09:30,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2 2025-08-31T10:09:30,393 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2 2025-08-31T10:09:30,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h 2025-08-31T10:09:30,396 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h 2025-08-31T10:09:30,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02 2025-08-31T10:09:30,399 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02 2025-08-31T10:09:30,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts 2025-08-31T10:09:30,403 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts 2025-08-31T10:09:30,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts 2025-08-31T10:09:30,406 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts 2025-08-31T10:09:30,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o 2025-08-31T10:09:30,409 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o 2025-08-31T10:09:30,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16 2025-08-31T10:09:30,413 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16 2025-08-31T10:09:30,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots 2025-08-31T10:09:30,416 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots 2025-08-31T10:09:30,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp 2025-08-31T10:09:30,419 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp 2025-08-31T10:09:30,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts 2025-08-31T10:09:30,423 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts 2025-08-31T10:09:30,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09 2025-08-31T10:09:30,426 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09 2025-08-31T10:09:30,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts 2025-08-31T10:09:30,429 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts 2025-08-31T10:09:30,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn 2025-08-31T10:09:30,432 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn 2025-08-31T10:09:30,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2 2025-08-31T10:09:30,435 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2 2025-08-31T10:09:30,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f 2025-08-31T10:09:30,438 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f 2025-08-31T10:09:30,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5 2025-08-31T10:09:30,442 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5 2025-08-31T10:09:30,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts 2025-08-31T10:09:30,445 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts 2025-08-31T10:09:30,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl 2025-08-31T10:09:30,448 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl 2025-08-31T10:09:30,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3 2025-08-31T10:09:30,452 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3 2025-08-31T10:09:30,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18 2025-08-31T10:09:30,455 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18 2025-08-31T10:09:30,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl 2025-08-31T10:09:30,458 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl 2025-08-31T10:09:30,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O 2025-08-31T10:09:30,461 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O 2025-08-31T10:09:30,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2 2025-08-31T10:09:30,465 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2 2025-08-31T10:09:30,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21 2025-08-31T10:09:30,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab 2025-08-31T10:09:30,470 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab 2025-08-31T10:09:30,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII 2025-08-31T10:09:30,473 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII 2025-08-31T10:09:30,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444 2025-08-31T10:09:30,477 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444 2025-08-31T10:09:30,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII 2025-08-31T10:09:30,480 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII 2025-08-31T10:09:30,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691 2025-08-31T10:09:30,483 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691 2025-08-31T10:09:30,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114 2025-08-31T10:09:30,487 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114 2025-08-31T10:09:30,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR 2025-08-31T10:09:30,490 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR 2025-08-31T10:09:30,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b 2025-08-31T10:09:30,494 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b 2025-08-31T10:09:30,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470 2025-08-31T10:09:30,497 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470 2025-08-31T10:09:30,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412 2025-08-31T10:09:30,501 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412 2025-08-31T10:09:30,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR 2025-08-31T10:09:30,504 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR 2025-08-31T10:09:30,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99 2025-08-31T10:09:30,508 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99 2025-08-31T10:09:30,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357 2025-08-31T10:09:30,511 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357 2025-08-31T10:09:30,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300 2025-08-31T10:09:30,515 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300 2025-08-31T10:09:30,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366 2025-08-31T10:09:30,518 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366 2025-08-31T10:09:30,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215 2025-08-31T10:09:30,522 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215 2025-08-31T10:09:30,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b 2025-08-31T10:09:30,525 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b 2025-08-31T10:09:30,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL 2025-08-31T10:09:30,529 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL 2025-08-31T10:09:30,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224 2025-08-31T10:09:30,532 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224 2025-08-31T10:09:30,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab 2025-08-31T10:09:30,536 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab 2025-08-31T10:09:30,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL 2025-08-31T10:09:30,539 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL 2025-08-31T10:09:30,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59 2025-08-31T10:09:30,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl 2025-08-31T10:09:30,546 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl 2025-08-31T10:09:30,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI 2025-08-31T10:09:30,549 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI 2025-08-31T10:09:30,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA 2025-08-31T10:09:30,552 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA 2025-08-31T10:09:30,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA 2025-08-31T10:09:30,556 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA 2025-08-31T10:09:30,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA 2025-08-31T10:09:30,559 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA 2025-08-31T10:09:30,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2 2025-08-31T10:09:30,562 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2 2025-08-31T10:09:30,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr 2025-08-31T10:09:30,566 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr 2025-08-31T10:09:30,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS 2025-08-31T10:09:30,569 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS 2025-08-31T10:09:30,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI 2025-08-31T10:09:30,572 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI 2025-08-31T10:09:30,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB 2025-08-31T10:09:30,575 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB 2025-08-31T10:09:30,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B 2025-08-31T10:09:30,578 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B 2025-08-31T10:09:30,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB 2025-08-31T10:09:30,582 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB 2025-08-31T10:09:30,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA 2025-08-31T10:09:30,585 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA 2025-08-31T10:09:30,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB 2025-08-31T10:09:30,588 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB 2025-08-31T10:09:30,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA 2025-08-31T10:09:30,591 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA 2025-08-31T10:09:30,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB 2025-08-31T10:09:30,595 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB 2025-08-31T10:09:30,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3 2025-08-31T10:09:30,599 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3 2025-08-31T10:09:30,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB 2025-08-31T10:09:30,602 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB 2025-08-31T10:09:30,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB 2025-08-31T10:09:30,605 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB 2025-08-31T10:09:30,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB 2025-08-31T10:09:30,609 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB 2025-08-31T10:09:30,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH 2025-08-31T10:09:30,613 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH 2025-08-31T10:09:30,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe 2025-08-31T10:09:30,616 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe 2025-08-31T10:09:30,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH 2025-08-31T10:09:30,619 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH 2025-08-31T10:09:30,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA 2025-08-31T10:09:30,622 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA 2025-08-31T10:09:30,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr 2025-08-31T10:09:30,625 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr 2025-08-31T10:09:30,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr 2025-08-31T10:09:30,629 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr 2025-08-31T10:09:30,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A 2025-08-31T10:09:30,632 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A 2025-08-31T10:09:30,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr 2025-08-31T10:09:30,636 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr 2025-08-31T10:09:30,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2 2025-08-31T10:09:30,639 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2 2025-08-31T10:09:30,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B 2025-08-31T10:09:30,642 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B 2025-08-31T10:09:30,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3 2025-08-31T10:09:30,646 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3 2025-08-31T10:09:30,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH 2025-08-31T10:09:30,649 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH 2025-08-31T10:09:30,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS 2025-08-31T10:09:30,653 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS 2025-08-31T10:09:30,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl 2025-08-31T10:09:30,656 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl 2025-08-31T10:09:30,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB 2025-08-31T10:09:30,660 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB 2025-08-31T10:09:30,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH 2025-08-31T10:09:30,663 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH 2025-08-31T10:09:30,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3 2025-08-31T10:09:30,666 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3 2025-08-31T10:09:30,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe 2025-08-31T10:09:30,669 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe 2025-08-31T10:09:30,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr 2025-08-31T10:09:30,673 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr 2025-08-31T10:09:30,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A 2025-08-31T10:09:30,676 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A 2025-08-31T10:09:30,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr 2025-08-31T10:09:30,679 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr 2025-08-31T10:09:30,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB 2025-08-31T10:09:30,683 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB 2025-08-31T10:09:30,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI 2025-08-31T10:09:30,686 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI 2025-08-31T10:09:30,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB 2025-08-31T10:09:30,689 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB 2025-08-31T10:09:30,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB 2025-08-31T10:09:30,693 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB 2025-08-31T10:09:30,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI 2025-08-31T10:09:30,696 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI 2025-08-31T10:09:30,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH 2025-08-31T10:09:30,699 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH 2025-08-31T10:09:30,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA 2025-08-31T10:09:30,702 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA 2025-08-31T10:09:30,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB 2025-08-31T10:09:30,706 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB 2025-08-31T10:09:30,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH 2025-08-31T10:09:30,709 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH 2025-08-31T10:09:30,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB 2025-08-31T10:09:30,712 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB 2025-08-31T10:09:30,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS 2025-08-31T10:09:30,716 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS 2025-08-31T10:09:30,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3 2025-08-31T10:09:30,719 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3 2025-08-31T10:09:30,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI 2025-08-31T10:09:30,722 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI 2025-08-31T10:09:30,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA 2025-08-31T10:09:30,725 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA 2025-08-31T10:09:30,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH 2025-08-31T10:09:30,729 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH 2025-08-31T10:09:30,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA 2025-08-31T10:09:30,732 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA 2025-08-31T10:09:30,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS 2025-08-31T10:09:30,735 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS 2025-08-31T10:09:30,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe 2025-08-31T10:09:30,739 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe 2025-08-31T10:09:30,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB 2025-08-31T10:09:30,742 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB 2025-08-31T10:09:30,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB 2025-08-31T10:09:30,745 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB 2025-08-31T10:09:30,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB 2025-08-31T10:09:30,749 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB 2025-08-31T10:09:30,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3 2025-08-31T10:09:30,752 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3 2025-08-31T10:09:30,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH 2025-08-31T10:09:30,755 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH 2025-08-31T10:09:30,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI 2025-08-31T10:09:30,758 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI 2025-08-31T10:09:30,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH 2025-08-31T10:09:30,761 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH 2025-08-31T10:09:30,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl 2025-08-31T10:09:30,765 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl 2025-08-31T10:09:30,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr 2025-08-31T10:09:30,768 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr 2025-08-31T10:09:30,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH 2025-08-31T10:09:30,771 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH 2025-08-31T10:09:30,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB 2025-08-31T10:09:30,775 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB 2025-08-31T10:09:30,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A 2025-08-31T10:09:30,779 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A 2025-08-31T10:09:30,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB 2025-08-31T10:09:30,782 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB 2025-08-31T10:09:30,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA 2025-08-31T10:09:30,785 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA 2025-08-31T10:09:30,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B 2025-08-31T10:09:30,789 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B 2025-08-31T10:09:30,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS 2025-08-31T10:09:30,792 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS 2025-08-31T10:09:30,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr 2025-08-31T10:09:30,795 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr 2025-08-31T10:09:30,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB 2025-08-31T10:09:30,798 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB 2025-08-31T10:09:30,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2 2025-08-31T10:09:30,801 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2 2025-08-31T10:09:30,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2 2025-08-31T10:09:30,805 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2 2025-08-31T10:09:30,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS 2025-08-31T10:09:30,808 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS 2025-08-31T10:09:30,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl 2025-08-31T10:09:30,811 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl 2025-08-31T10:09:30,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr 2025-08-31T10:09:30,815 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr 2025-08-31T10:09:30,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS 2025-08-31T10:09:30,818 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS 2025-08-31T10:09:30,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB 2025-08-31T10:09:30,821 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB 2025-08-31T10:09:30,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB 2025-08-31T10:09:30,824 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB 2025-08-31T10:09:30,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB 2025-08-31T10:09:30,828 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB 2025-08-31T10:09:30,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3 2025-08-31T10:09:30,831 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3 2025-08-31T10:09:30,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr 2025-08-31T10:09:30,834 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr 2025-08-31T10:09:30,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI 2025-08-31T10:09:30,838 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI 2025-08-31T10:09:30,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB 2025-08-31T10:09:30,841 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB 2025-08-31T10:09:30,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe 2025-08-31T10:09:30,844 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe 2025-08-31T10:09:30,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3 2025-08-31T10:09:30,848 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3 2025-08-31T10:09:30,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI 2025-08-31T10:09:30,851 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI 2025-08-31T10:09:30,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS 2025-08-31T10:09:30,854 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS 2025-08-31T10:09:30,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA 2025-08-31T10:09:30,858 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA 2025-08-31T10:09:30,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI 2025-08-31T10:09:30,861 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI 2025-08-31T10:09:30,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI 2025-08-31T10:09:30,865 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI 2025-08-31T10:09:30,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB 2025-08-31T10:09:30,869 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB 2025-08-31T10:09:30,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3 2025-08-31T10:09:30,872 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3 2025-08-31T10:09:30,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr 2025-08-31T10:09:30,875 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr 2025-08-31T10:09:30,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr 2025-08-31T10:09:30,879 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr 2025-08-31T10:09:30,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB 2025-08-31T10:09:30,882 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB 2025-08-31T10:09:30,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr 2025-08-31T10:09:30,886 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr 2025-08-31T10:09:30,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH 2025-08-31T10:09:30,889 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH 2025-08-31T10:09:30,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH 2025-08-31T10:09:30,893 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH 2025-08-31T10:09:30,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26 2025-08-31T10:09:30,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G 2025-08-31T10:09:30,898 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G 2025-08-31T10:09:30,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp 2025-08-31T10:09:30,901 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp 2025-08-31T10:09:30,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp 2025-08-31T10:09:30,904 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp 2025-08-31T10:09:30,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp 2025-08-31T10:09:30,908 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp 2025-08-31T10:09:30,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol 2025-08-31T10:09:30,911 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol 2025-08-31T10:09:30,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6 2025-08-31T10:09:30,914 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6 2025-08-31T10:09:30,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp 2025-08-31T10:09:30,917 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp 2025-08-31T10:09:30,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A 2025-08-31T10:09:30,921 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A 2025-08-31T10:09:30,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp 2025-08-31T10:09:30,924 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp 2025-08-31T10:09:30,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol 2025-08-31T10:09:30,928 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol 2025-08-31T10:09:30,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o 2025-08-31T10:09:30,931 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o 2025-08-31T10:09:30,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp 2025-08-31T10:09:30,935 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp 2025-08-31T10:09:30,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh 2025-08-31T10:09:30,938 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh 2025-08-31T10:09:30,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p 2025-08-31T10:09:30,941 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p 2025-08-31T10:09:30,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3 2025-08-31T10:09:30,944 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3 2025-08-31T10:09:30,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p 2025-08-31T10:09:30,947 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p 2025-08-31T10:09:30,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p 2025-08-31T10:09:30,950 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p 2025-08-31T10:09:30,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4 2025-08-31T10:09:30,954 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4 2025-08-31T10:09:30,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap 2025-08-31T10:09:30,957 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap 2025-08-31T10:09:30,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4 2025-08-31T10:09:30,961 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4 2025-08-31T10:09:30,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2 2025-08-31T10:09:30,964 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2 2025-08-31T10:09:30,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8 2025-08-31T10:09:30,967 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8 2025-08-31T10:09:30,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p 2025-08-31T10:09:30,970 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p 2025-08-31T10:09:30,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3 2025-08-31T10:09:30,974 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3 2025-08-31T10:09:30,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6 2025-08-31T10:09:30,977 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6 2025-08-31T10:09:30,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p 2025-08-31T10:09:30,981 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p 2025-08-31T10:09:30,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly 2025-08-31T10:09:30,984 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly 2025-08-31T10:09:30,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p 2025-08-31T10:09:30,987 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p 2025-08-31T10:09:30,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp 2025-08-31T10:09:30,991 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp 2025-08-31T10:09:30,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p 2025-08-31T10:09:30,994 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p 2025-08-31T10:09:30,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p 2025-08-31T10:09:30,997 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p 2025-08-31T10:09:31,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass 2025-08-31T10:09:31,001 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass 2025-08-31T10:09:31,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s 2025-08-31T10:09:31,004 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s 2025-08-31T10:09:31,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol 2025-08-31T10:09:31,007 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol 2025-08-31T10:09:31,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T 2025-08-31T10:09:31,011 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T 2025-08-31T10:09:31,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp 2025-08-31T10:09:31,014 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp 2025-08-31T10:09:31,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys 2025-08-31T10:09:31,017 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys 2025-08-31T10:09:31,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op 2025-08-31T10:09:31,021 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op 2025-08-31T10:09:31,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp 2025-08-31T10:09:31,024 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp 2025-08-31T10:09:31,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp 2025-08-31T10:09:31,027 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp 2025-08-31T10:09:31,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp 2025-08-31T10:09:31,031 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp 2025-08-31T10:09:31,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2 2025-08-31T10:09:31,034 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2 2025-08-31T10:09:31,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p 2025-08-31T10:09:31,037 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p 2025-08-31T10:09:31,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C 2025-08-31T10:09:31,040 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C 2025-08-31T10:09:31,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp 2025-08-31T10:09:31,044 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp 2025-08-31T10:09:31,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p 2025-08-31T10:09:31,047 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p 2025-08-31T10:09:31,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s 2025-08-31T10:09:31,050 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s 2025-08-31T10:09:31,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp 2025-08-31T10:09:31,054 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp 2025-08-31T10:09:31,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6 2025-08-31T10:09:31,057 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6 2025-08-31T10:09:31,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p 2025-08-31T10:09:31,061 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p 2025-08-31T10:09:31,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl 2025-08-31T10:09:31,064 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl 2025-08-31T10:09:31,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2 2025-08-31T10:09:31,067 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2 2025-08-31T10:09:31,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66 2025-08-31T10:09:31,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B 2025-08-31T10:09:31,075 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B 2025-08-31T10:09:31,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02 2025-08-31T10:09:31,078 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/02 2025-08-31T10:09:31,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B 2025-08-31T10:09:31,082 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B 2025-08-31T10:09:31,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A 2025-08-31T10:09:31,085 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A 2025-08-31T10:09:31,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54 2025-08-31T10:09:31,088 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/54 2025-08-31T10:09:31,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B 2025-08-31T10:09:31,092 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B 2025-08-31T10:09:31,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A 2025-08-31T10:09:31,095 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A 2025-08-31T10:09:31,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B 2025-08-31T10:09:31,098 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B 2025-08-31T10:09:31,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A 2025-08-31T10:09:31,102 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A 2025-08-31T10:09:31,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A 2025-08-31T10:09:31,105 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A 2025-08-31T10:09:31,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23 2025-08-31T10:09:31,108 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/23 2025-08-31T10:09:31,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A 2025-08-31T10:09:31,112 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A 2025-08-31T10:09:31,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08 2025-08-31T10:09:31,115 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/08 2025-08-31T10:09:31,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A 2025-08-31T10:09:31,118 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A 2025-08-31T10:09:31,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B 2025-08-31T10:09:31,122 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B 2025-08-31T10:09:31,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B 2025-08-31T10:09:31,125 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B 2025-08-31T10:09:31,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B 2025-08-31T10:09:31,128 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B 2025-08-31T10:09:31,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B 2025-08-31T10:09:31,132 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B 2025-08-31T10:09:31,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A 2025-08-31T10:09:31,135 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A 2025-08-31T10:09:31,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A 2025-08-31T10:09:31,138 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A 2025-08-31T10:09:31,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A 2025-08-31T10:09:31,142 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A 2025-08-31T10:09:31,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B 2025-08-31T10:09:31,145 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B 2025-08-31T10:09:31,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30 2025-08-31T10:09:31,148 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/30 2025-08-31T10:09:31,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64 2025-08-31T10:09:31,152 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/64 2025-08-31T10:09:31,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57 2025-08-31T10:09:31,155 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/57 2025-08-31T10:09:31,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B 2025-08-31T10:09:31,158 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B 2025-08-31T10:09:31,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A 2025-08-31T10:09:31,162 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A 2025-08-31T10:09:31,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A 2025-08-31T10:09:31,165 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A 2025-08-31T10:09:31,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A 2025-08-31T10:09:31,169 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A 2025-08-31T10:09:31,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B 2025-08-31T10:09:31,172 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B 2025-08-31T10:09:31,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B 2025-08-31T10:09:31,176 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B 2025-08-31T10:09:31,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56 2025-08-31T10:09:31,179 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/56 2025-08-31T10:09:31,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B 2025-08-31T10:09:31,183 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B 2025-08-31T10:09:31,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B 2025-08-31T10:09:31,186 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B 2025-08-31T10:09:31,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B 2025-08-31T10:09:31,190 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B 2025-08-31T10:09:31,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60 2025-08-31T10:09:31,193 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/60 2025-08-31T10:09:31,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B 2025-08-31T10:09:31,196 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B 2025-08-31T10:09:31,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61 2025-08-31T10:09:31,199 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/61 2025-08-31T10:09:31,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29 2025-08-31T10:09:31,202 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/29 2025-08-31T10:09:31,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06 2025-08-31T10:09:31,206 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/06 2025-08-31T10:09:31,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A 2025-08-31T10:09:31,209 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A 2025-08-31T10:09:31,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A 2025-08-31T10:09:31,212 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A 2025-08-31T10:09:31,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42 2025-08-31T10:09:31,216 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/42 2025-08-31T10:09:31,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B 2025-08-31T10:09:31,219 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B 2025-08-31T10:09:31,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A 2025-08-31T10:09:31,222 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A 2025-08-31T10:09:31,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10 2025-08-31T10:09:31,226 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/10 2025-08-31T10:09:31,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A 2025-08-31T10:09:31,229 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A 2025-08-31T10:09:31,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34 2025-08-31T10:09:31,233 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/34 2025-08-31T10:09:31,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A 2025-08-31T10:09:31,236 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A 2025-08-31T10:09:31,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A 2025-08-31T10:09:31,240 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A 2025-08-31T10:09:31,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B 2025-08-31T10:09:31,243 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B 2025-08-31T10:09:31,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A 2025-08-31T10:09:31,246 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A 2025-08-31T10:09:31,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A 2025-08-31T10:09:31,250 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A 2025-08-31T10:09:31,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22 2025-08-31T10:09:31,253 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/22 2025-08-31T10:09:31,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A 2025-08-31T10:09:31,256 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A 2025-08-31T10:09:31,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18 2025-08-31T10:09:31,260 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/18 2025-08-31T10:09:31,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16 2025-08-31T10:09:31,263 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/16 2025-08-31T10:09:31,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B 2025-08-31T10:09:31,267 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B 2025-08-31T10:09:31,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A 2025-08-31T10:09:31,271 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A 2025-08-31T10:09:31,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52 2025-08-31T10:09:31,274 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/52 2025-08-31T10:09:31,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04 2025-08-31T10:09:31,277 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/04 2025-08-31T10:09:31,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59 2025-08-31T10:09:31,281 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/59 2025-08-31T10:09:31,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37 2025-08-31T10:09:31,284 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/37 2025-08-31T10:09:31,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B 2025-08-31T10:09:31,287 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B 2025-08-31T10:09:31,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B 2025-08-31T10:09:31,291 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B 2025-08-31T10:09:31,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40 2025-08-31T10:09:31,294 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/40 2025-08-31T10:09:31,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B 2025-08-31T10:09:31,297 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B 2025-08-31T10:09:31,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09 2025-08-31T10:09:31,301 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/09 2025-08-31T10:09:31,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B 2025-08-31T10:09:31,304 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B 2025-08-31T10:09:31,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A 2025-08-31T10:09:31,307 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A 2025-08-31T10:09:31,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28 2025-08-31T10:09:31,310 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/28 2025-08-31T10:09:31,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36 2025-08-31T10:09:31,314 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/36 2025-08-31T10:09:31,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A 2025-08-31T10:09:31,317 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A 2025-08-31T10:09:31,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47 2025-08-31T10:09:31,320 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/47 2025-08-31T10:09:31,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A 2025-08-31T10:09:31,324 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A 2025-08-31T10:09:31,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A 2025-08-31T10:09:31,327 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A 2025-08-31T10:09:31,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B 2025-08-31T10:09:31,330 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B 2025-08-31T10:09:31,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B 2025-08-31T10:09:31,334 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B 2025-08-31T10:09:31,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A 2025-08-31T10:09:31,337 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A 2025-08-31T10:09:31,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B 2025-08-31T10:09:31,340 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B 2025-08-31T10:09:31,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B 2025-08-31T10:09:31,344 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B 2025-08-31T10:09:31,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21 2025-08-31T10:09:31,347 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/21 2025-08-31T10:09:31,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A 2025-08-31T10:09:31,350 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A 2025-08-31T10:09:31,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65 2025-08-31T10:09:31,354 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/65 2025-08-31T10:09:31,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66 2025-08-31T10:09:31,357 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/66 2025-08-31T10:09:31,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B 2025-08-31T10:09:31,360 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B 2025-08-31T10:09:31,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B 2025-08-31T10:09:31,364 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B 2025-08-31T10:09:31,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13 2025-08-31T10:09:31,367 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/13 2025-08-31T10:09:31,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B 2025-08-31T10:09:31,371 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B 2025-08-31T10:09:31,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B 2025-08-31T10:09:31,374 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B 2025-08-31T10:09:31,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58 2025-08-31T10:09:31,378 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/58 2025-08-31T10:09:31,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25 2025-08-31T10:09:31,381 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/25 2025-08-31T10:09:31,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B 2025-08-31T10:09:31,385 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B 2025-08-31T10:09:31,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32 2025-08-31T10:09:31,388 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/32 2025-08-31T10:09:31,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A 2025-08-31T10:09:31,392 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A 2025-08-31T10:09:31,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A 2025-08-31T10:09:31,395 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A 2025-08-31T10:09:31,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A 2025-08-31T10:09:31,398 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A 2025-08-31T10:09:31,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A 2025-08-31T10:09:31,402 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A 2025-08-31T10:09:31,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B 2025-08-31T10:09:31,405 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B 2025-08-31T10:09:31,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A 2025-08-31T10:09:31,409 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A 2025-08-31T10:09:31,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B 2025-08-31T10:09:31,412 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B 2025-08-31T10:09:31,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41 2025-08-31T10:09:31,415 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/41 2025-08-31T10:09:31,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14 2025-08-31T10:09:31,419 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/14 2025-08-31T10:09:31,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A 2025-08-31T10:09:31,422 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A 2025-08-31T10:09:31,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A 2025-08-31T10:09:31,426 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A 2025-08-31T10:09:31,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A 2025-08-31T10:09:31,429 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A 2025-08-31T10:09:31,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A 2025-08-31T10:09:31,432 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A 2025-08-31T10:09:31,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A 2025-08-31T10:09:31,436 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A 2025-08-31T10:09:31,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15 2025-08-31T10:09:31,439 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/15 2025-08-31T10:09:31,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A 2025-08-31T10:09:31,442 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A 2025-08-31T10:09:31,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B 2025-08-31T10:09:31,445 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B 2025-08-31T10:09:31,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A 2025-08-31T10:09:31,449 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A 2025-08-31T10:09:31,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38 2025-08-31T10:09:31,452 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/38 2025-08-31T10:09:31,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24 2025-08-31T10:09:31,455 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/24 2025-08-31T10:09:31,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B 2025-08-31T10:09:31,459 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B 2025-08-31T10:09:31,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B 2025-08-31T10:09:31,462 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B 2025-08-31T10:09:31,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B 2025-08-31T10:09:31,465 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B 2025-08-31T10:09:31,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A 2025-08-31T10:09:31,469 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A 2025-08-31T10:09:31,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B 2025-08-31T10:09:31,472 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B 2025-08-31T10:09:31,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19 2025-08-31T10:09:31,475 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/19 2025-08-31T10:09:31,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01 2025-08-31T10:09:31,479 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/01 2025-08-31T10:09:31,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B 2025-08-31T10:09:31,482 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B 2025-08-31T10:09:31,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A 2025-08-31T10:09:31,485 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A 2025-08-31T10:09:31,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A 2025-08-31T10:09:31,489 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A 2025-08-31T10:09:31,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31 2025-08-31T10:09:31,492 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/31 2025-08-31T10:09:31,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45 2025-08-31T10:09:31,495 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/45 2025-08-31T10:09:31,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B 2025-08-31T10:09:31,499 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B 2025-08-31T10:09:31,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50 2025-08-31T10:09:31,502 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/50 2025-08-31T10:09:31,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B 2025-08-31T10:09:31,505 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B 2025-08-31T10:09:31,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26 2025-08-31T10:09:31,508 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/26 2025-08-31T10:09:31,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A 2025-08-31T10:09:31,512 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A 2025-08-31T10:09:31,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B 2025-08-31T10:09:31,515 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B 2025-08-31T10:09:31,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B 2025-08-31T10:09:31,519 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B 2025-08-31T10:09:31,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46 2025-08-31T10:09:31,522 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/46 2025-08-31T10:09:31,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A 2025-08-31T10:09:31,526 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A 2025-08-31T10:09:31,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03 2025-08-31T10:09:31,529 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/03 2025-08-31T10:09:31,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B 2025-08-31T10:09:31,532 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B 2025-08-31T10:09:31,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B 2025-08-31T10:09:31,536 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B 2025-08-31T10:09:31,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20 2025-08-31T10:09:31,539 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/20 2025-08-31T10:09:31,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B 2025-08-31T10:09:31,542 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B 2025-08-31T10:09:31,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B 2025-08-31T10:09:31,546 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B 2025-08-31T10:09:31,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B 2025-08-31T10:09:31,549 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B 2025-08-31T10:09:31,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43 2025-08-31T10:09:31,552 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/43 2025-08-31T10:09:31,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B 2025-08-31T10:09:31,556 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B 2025-08-31T10:09:31,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44 2025-08-31T10:09:31,559 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/44 2025-08-31T10:09:31,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A 2025-08-31T10:09:31,562 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A 2025-08-31T10:09:31,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A 2025-08-31T10:09:31,566 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A 2025-08-31T10:09:31,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A 2025-08-31T10:09:31,569 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A 2025-08-31T10:09:31,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A 2025-08-31T10:09:31,573 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A 2025-08-31T10:09:31,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A 2025-08-31T10:09:31,576 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A 2025-08-31T10:09:31,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A 2025-08-31T10:09:31,580 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A 2025-08-31T10:09:31,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A 2025-08-31T10:09:31,583 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A 2025-08-31T10:09:31,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B 2025-08-31T10:09:31,586 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B 2025-08-31T10:09:31,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B 2025-08-31T10:09:31,590 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B 2025-08-31T10:09:31,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A 2025-08-31T10:09:31,593 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A 2025-08-31T10:09:31,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B 2025-08-31T10:09:31,596 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B 2025-08-31T10:09:31,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A 2025-08-31T10:09:31,599 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A 2025-08-31T10:09:31,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B 2025-08-31T10:09:31,603 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B 2025-08-31T10:09:31,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33 2025-08-31T10:09:31,606 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/33 2025-08-31T10:09:31,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12 2025-08-31T10:09:31,609 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/12 2025-08-31T10:09:31,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53 2025-08-31T10:09:31,613 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/53 2025-08-31T10:09:31,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A 2025-08-31T10:09:31,616 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A 2025-08-31T10:09:31,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17 2025-08-31T10:09:31,620 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/17 2025-08-31T10:09:31,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55 2025-08-31T10:09:31,623 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/55 2025-08-31T10:09:31,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B 2025-08-31T10:09:31,626 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B 2025-08-31T10:09:31,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35 2025-08-31T10:09:31,630 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/35 2025-08-31T10:09:31,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A 2025-08-31T10:09:31,634 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A 2025-08-31T10:09:31,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B 2025-08-31T10:09:31,637 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B 2025-08-31T10:09:31,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B 2025-08-31T10:09:31,640 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B 2025-08-31T10:09:31,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A 2025-08-31T10:09:31,643 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A 2025-08-31T10:09:31,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B 2025-08-31T10:09:31,646 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B 2025-08-31T10:09:31,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51 2025-08-31T10:09:31,650 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/51 2025-08-31T10:09:31,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A 2025-08-31T10:09:31,653 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A 2025-08-31T10:09:31,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B 2025-08-31T10:09:31,656 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B 2025-08-31T10:09:31,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A 2025-08-31T10:09:31,660 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A 2025-08-31T10:09:31,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39 2025-08-31T10:09:31,663 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/39 2025-08-31T10:09:31,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49 2025-08-31T10:09:31,667 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/49 2025-08-31T10:09:31,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A 2025-08-31T10:09:31,670 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A 2025-08-31T10:09:31,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A 2025-08-31T10:09:31,674 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A 2025-08-31T10:09:31,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05 2025-08-31T10:09:31,677 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/05 2025-08-31T10:09:31,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B 2025-08-31T10:09:31,680 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B 2025-08-31T10:09:31,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B 2025-08-31T10:09:31,684 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B 2025-08-31T10:09:31,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B 2025-08-31T10:09:31,687 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B 2025-08-31T10:09:31,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B 2025-08-31T10:09:31,690 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B 2025-08-31T10:09:31,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48 2025-08-31T10:09:31,694 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/48 2025-08-31T10:09:31,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63 2025-08-31T10:09:31,697 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/63 2025-08-31T10:09:31,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B 2025-08-31T10:09:31,701 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B 2025-08-31T10:09:31,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07 2025-08-31T10:09:31,704 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/07 2025-08-31T10:09:31,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B 2025-08-31T10:09:31,707 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B 2025-08-31T10:09:31,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62 2025-08-31T10:09:31,711 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/62 2025-08-31T10:09:31,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A 2025-08-31T10:09:31,714 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A 2025-08-31T10:09:31,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B 2025-08-31T10:09:31,717 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B 2025-08-31T10:09:31,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A 2025-08-31T10:09:31,721 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A 2025-08-31T10:09:31,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A 2025-08-31T10:09:31,724 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A 2025-08-31T10:09:31,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A 2025-08-31T10:09:31,728 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A 2025-08-31T10:09:31,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11 2025-08-31T10:09:31,731 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/11 2025-08-31T10:09:31,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A 2025-08-31T10:09:31,734 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A 2025-08-31T10:09:31,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27 2025-08-31T10:09:31,738 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/27 2025-08-31T10:09:31,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13 2025-08-31T10:09:31,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip 2025-08-31T10:09:31,743 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip 2025-08-31T10:09:31,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add 2025-08-31T10:09:31,746 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add 2025-08-31T10:09:31,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl 2025-08-31T10:09:31,749 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl 2025-08-31T10:09:31,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb 2025-08-31T10:09:31,753 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb 2025-08-31T10:09:31,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2 2025-08-31T10:09:31,756 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2 2025-08-31T10:09:31,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2 2025-08-31T10:09:31,759 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2 2025-08-31T10:09:31,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8 2025-08-31T10:09:31,762 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8 2025-08-31T10:09:31,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35 2025-08-31T10:09:31,766 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35 2025-08-31T10:09:31,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene 2025-08-31T10:09:31,769 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene 2025-08-31T10:09:31,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be 2025-08-31T10:09:31,773 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be 2025-08-31T10:09:31,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1 2025-08-31T10:09:31,776 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1 2025-08-31T10:09:31,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen 2025-08-31T10:09:31,779 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen 2025-08-31T10:09:31,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3 2025-08-31T10:09:31,783 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3 2025-08-31T10:09:31,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6 2025-08-31T10:09:31,786 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6 2025-08-31T10:09:31,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2 2025-08-31T10:09:31,789 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2 2025-08-31T10:09:31,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4 2025-08-31T10:09:31,792 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4 2025-08-31T10:09:31,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4 2025-08-31T10:09:31,796 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4 2025-08-31T10:09:31,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2 2025-08-31T10:09:31,799 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2 2025-08-31T10:09:31,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6 2025-08-31T10:09:31,802 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6 2025-08-31T10:09:31,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35 2025-08-31T10:09:31,805 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35 2025-08-31T10:09:31,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen 2025-08-31T10:09:31,809 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen 2025-08-31T10:09:31,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2 2025-08-31T10:09:31,812 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2 2025-08-31T10:09:31,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne 2025-08-31T10:09:31,815 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne 2025-08-31T10:09:31,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36 2025-08-31T10:09:31,819 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36 2025-08-31T10:09:31,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36 2025-08-31T10:09:31,822 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36 2025-08-31T10:09:31,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add 2025-08-31T10:09:31,826 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add 2025-08-31T10:09:31,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage 2025-08-31T10:09:31,829 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage 2025-08-31T10:09:31,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1 2025-08-31T10:09:31,832 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1 2025-08-31T10:09:31,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL 2025-08-31T10:09:31,836 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL 2025-08-31T10:09:31,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41 2025-08-31T10:09:31,839 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41 2025-08-31T10:09:31,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20 2025-08-31T10:09:31,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,844 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,846 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,848 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,850 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,851 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,853 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,855 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,857 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,858 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,860 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,862 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,864 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,866 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,867 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,869 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,871 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,873 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,874 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,876 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S22.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,878 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,880 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,881 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,883 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,885 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,886 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,888 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,890 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,892 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,894 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,896 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PArel.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,898 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,899 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,901 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,903 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,905 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,907 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2025-08-31T10:09:31,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES 2025-08-31T10:09:31,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6 2025-08-31T10:09:31,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3 2025-08-31T10:09:31,914 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3 2025-08-31T10:09:31,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6 2025-08-31T10:09:31,918 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6 2025-08-31T10:09:31,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2 2025-08-31T10:09:31,921 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2 2025-08-31T10:09:31,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6 2025-08-31T10:09:31,925 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6 2025-08-31T10:09:31,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6 2025-08-31T10:09:31,928 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6 2025-08-31T10:09:31,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3 2025-08-31T10:09:31,931 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3 2025-08-31T10:09:31,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6 2025-08-31T10:09:31,935 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6 2025-08-31T10:09:31,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4 2025-08-31T10:09:31,938 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4 2025-08-31T10:09:31,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5 2025-08-31T10:09:31,941 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5 2025-08-31T10:09:31,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3 2025-08-31T10:09:31,945 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3 2025-08-31T10:09:31,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3 2025-08-31T10:09:31,948 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3 2025-08-31T10:09:31,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP 2025-08-31T10:09:31,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137 2025-08-31T10:09:31,954 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137 2025-08-31T10:09:31,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+ 2025-08-31T10:09:31,957 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+ 2025-08-31T10:09:31,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+ 2025-08-31T10:09:31,960 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+ 2025-08-31T10:09:31,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74 2025-08-31T10:09:31,964 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74 2025-08-31T10:09:31,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71 2025-08-31T10:09:31,967 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71 2025-08-31T10:09:31,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79 2025-08-31T10:09:31,970 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79 2025-08-31T10:09:31,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80 2025-08-31T10:09:31,974 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80 2025-08-31T10:09:31,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p 2025-08-31T10:09:31,977 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p 2025-08-31T10:09:31,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8 2025-08-31T10:09:31,980 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8 2025-08-31T10:09:31,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76 2025-08-31T10:09:31,984 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76 2025-08-31T10:09:31,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30 2025-08-31T10:09:31,987 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30 2025-08-31T10:09:31,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al 2025-08-31T10:09:31,991 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al 2025-08-31T10:09:31,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+ 2025-08-31T10:09:31,994 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+ 2025-08-31T10:09:31,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c 2025-08-31T10:09:31,998 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c 2025-08-31T10:09:32,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be 2025-08-31T10:09:32,001 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be 2025-08-31T10:09:32,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+ 2025-08-31T10:09:32,004 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+ 2025-08-31T10:09:32,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n 2025-08-31T10:09:32,008 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n 2025-08-31T10:09:32,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+ 2025-08-31T10:09:32,011 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+ 2025-08-31T10:09:32,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64 2025-08-31T10:09:32,015 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64 2025-08-31T10:09:32,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34 2025-08-31T10:09:32,018 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34 2025-08-31T10:09:32,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s 2025-08-31T10:09:32,021 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s 2025-08-31T10:09:32,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+ 2025-08-31T10:09:32,025 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+ 2025-08-31T10:09:32,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75 2025-08-31T10:09:32,028 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75 2025-08-31T10:09:32,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59 2025-08-31T10:09:32,032 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59 2025-08-31T10:09:32,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73 2025-08-31T10:09:32,035 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73 2025-08-31T10:09:32,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22 2025-08-31T10:09:32,039 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22 2025-08-31T10:09:32,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18 2025-08-31T10:09:32,042 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18 2025-08-31T10:09:32,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37 2025-08-31T10:09:32,045 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37 2025-08-31T10:09:32,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+ 2025-08-31T10:09:32,048 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+ 2025-08-31T10:09:32,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72 2025-08-31T10:09:32,052 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72 2025-08-31T10:09:32,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67 2025-08-31T10:09:32,055 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67 2025-08-31T10:09:32,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68 2025-08-31T10:09:32,058 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68 2025-08-31T10:09:32,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+ 2025-08-31T10:09:32,062 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+ 2025-08-31T10:09:32,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o 2025-08-31T10:09:32,065 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o 2025-08-31T10:09:32,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13 2025-08-31T10:09:32,068 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13 2025-08-31T10:09:32,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25 2025-08-31T10:09:32,072 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25 2025-08-31T10:09:32,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77 2025-08-31T10:09:32,075 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77 2025-08-31T10:09:32,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14 2025-08-31T10:09:32,079 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14 2025-08-31T10:09:32,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg 2025-08-31T10:09:32,082 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg 2025-08-31T10:09:32,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19 2025-08-31T10:09:32,085 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19 2025-08-31T10:09:32,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+ 2025-08-31T10:09:32,088 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+ 2025-08-31T10:09:32,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60 2025-08-31T10:09:32,091 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60 2025-08-31T10:09:32,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+ 2025-08-31T10:09:32,095 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+ 2025-08-31T10:09:32,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45 2025-08-31T10:09:32,098 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45 2025-08-31T10:09:32,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26 2025-08-31T10:09:32,102 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26 2025-08-31T10:09:32,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl 2025-08-31T10:09:32,105 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl 2025-08-31T10:09:32,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78 2025-08-31T10:09:32,108 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78 2025-08-31T10:09:32,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b 2025-08-31T10:09:32,112 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b 2025-08-31T10:09:32,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li 2025-08-31T10:09:32,115 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li 2025-08-31T10:09:32,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20 2025-08-31T10:09:32,118 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20 2025-08-31T10:09:32,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66 2025-08-31T10:09:32,122 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66 2025-08-31T10:09:32,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43 2025-08-31T10:09:32,125 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43 2025-08-31T10:09:32,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44 2025-08-31T10:09:32,128 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44 2025-08-31T10:09:32,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62 2025-08-31T10:09:32,131 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62 2025-08-31T10:09:32,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h 2025-08-31T10:09:32,135 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h 2025-08-31T10:09:32,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+ 2025-08-31T10:09:32,138 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+ 2025-08-31T10:09:32,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na 2025-08-31T10:09:32,141 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na 2025-08-31T10:09:32,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65 2025-08-31T10:09:32,145 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65 2025-08-31T10:09:32,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+ 2025-08-31T10:09:32,148 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+ 2025-08-31T10:09:32,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61 2025-08-31T10:09:32,151 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61 2025-08-31T10:09:32,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si 2025-08-31T10:09:32,155 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si 2025-08-31T10:09:32,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12 2025-08-31T10:09:32,158 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12 2025-08-31T10:09:32,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63 2025-08-31T10:09:32,161 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63 2025-08-31T10:09:32,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70 2025-08-31T10:09:32,165 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70 2025-08-31T10:09:32,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51 2025-08-31T10:09:32,168 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51 2025-08-31T10:09:32,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f 2025-08-31T10:09:32,171 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f 2025-08-31T10:09:32,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+ 2025-08-31T10:09:32,174 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+ 2025-08-31T10:09:32,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48 2025-08-31T10:09:32,178 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48 2025-08-31T10:09:32,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65 2025-08-31T10:09:32,181 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65 2025-08-31T10:09:32,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11 2025-08-31T10:09:32,184 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11 2025-08-31T10:09:32,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+ 2025-08-31T10:09:32,188 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+ 2025-08-31T10:09:32,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27 2025-08-31T10:09:32,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans 2025-08-31T10:09:32,193 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans 2025-08-31T10:09:32,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180 2025-08-31T10:09:32,196 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180 2025-08-31T10:09:32,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans 2025-08-31T10:09:32,200 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans 2025-08-31T10:09:32,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120 2025-08-31T10:09:32,204 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120 2025-08-31T10:09:32,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis 2025-08-31T10:09:32,207 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis 2025-08-31T10:09:32,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2 2025-08-31T10:09:32,210 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2 2025-08-31T10:09:32,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2 2025-08-31T10:09:32,214 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2 2025-08-31T10:09:32,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn 2025-08-31T10:09:32,217 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn 2025-08-31T10:09:32,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis 2025-08-31T10:09:32,220 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis 2025-08-31T10:09:32,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis 2025-08-31T10:09:32,224 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis 2025-08-31T10:09:32,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2 2025-08-31T10:09:32,228 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2 2025-08-31T10:09:32,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1 2025-08-31T10:09:32,231 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1 2025-08-31T10:09:32,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS 2025-08-31T10:09:32,235 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS 2025-08-31T10:09:32,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti 2025-08-31T10:09:32,238 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti 2025-08-31T10:09:32,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl 2025-08-31T10:09:32,242 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl 2025-08-31T10:09:32,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2 2025-08-31T10:09:32,246 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2 2025-08-31T10:09:32,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180 2025-08-31T10:09:32,249 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180 2025-08-31T10:09:32,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st 2025-08-31T10:09:32,253 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st 2025-08-31T10:09:32,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0 2025-08-31T10:09:32,256 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0 2025-08-31T10:09:32,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1 2025-08-31T10:09:32,260 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1 2025-08-31T10:09:32,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0 2025-08-31T10:09:32,263 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0 2025-08-31T10:09:32,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans 2025-08-31T10:09:32,266 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans 2025-08-31T10:09:32,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn 2025-08-31T10:09:32,269 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn 2025-08-31T10:09:32,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl 2025-08-31T10:09:32,273 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl 2025-08-31T10:09:32,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1 2025-08-31T10:09:32,276 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1 2025-08-31T10:09:32,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2 2025-08-31T10:09:32,280 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2 2025-08-31T10:09:32,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1 2025-08-31T10:09:32,283 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1 2025-08-31T10:09:32,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS 2025-08-31T10:09:32,287 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS 2025-08-31T10:09:32,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl 2025-08-31T10:09:32,290 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl 2025-08-31T10:09:32,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2 2025-08-31T10:09:32,294 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2 2025-08-31T10:09:32,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1 2025-08-31T10:09:32,297 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1 2025-08-31T10:09:32,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st 2025-08-31T10:09:32,301 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st 2025-08-31T10:09:32,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl 2025-08-31T10:09:32,304 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl 2025-08-31T10:09:32,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl 2025-08-31T10:09:32,307 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl 2025-08-31T10:09:32,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st 2025-08-31T10:09:32,311 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st 2025-08-31T10:09:32,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti 2025-08-31T10:09:32,314 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti 2025-08-31T10:09:32,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS 2025-08-31T10:09:32,318 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS 2025-08-31T10:09:32,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC 2025-08-31T10:09:32,322 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC 2025-08-31T10:09:32,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS 2025-08-31T10:09:32,325 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS 2025-08-31T10:09:32,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60 2025-08-31T10:09:32,328 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60 2025-08-31T10:09:32,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23 2025-08-31T10:09:32,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a 2025-08-31T10:09:32,335 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a 2025-08-31T10:09:32,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a 2025-08-31T10:09:32,338 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a 2025-08-31T10:09:32,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23 2025-08-31T10:09:32,342 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23 2025-08-31T10:09:32,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4 2025-08-31T10:09:32,345 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4 2025-08-31T10:09:32,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a 2025-08-31T10:09:32,349 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a 2025-08-31T10:09:32,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a 2025-08-31T10:09:32,352 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a 2025-08-31T10:09:32,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b 2025-08-31T10:09:32,356 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b 2025-08-31T10:09:32,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8 2025-08-31T10:09:32,359 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8 2025-08-31T10:09:32,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b 2025-08-31T10:09:32,363 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b 2025-08-31T10:09:32,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b 2025-08-31T10:09:32,367 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b 2025-08-31T10:09:32,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b 2025-08-31T10:09:32,370 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b 2025-08-31T10:09:32,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3 2025-08-31T10:09:32,374 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3 2025-08-31T10:09:32,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a 2025-08-31T10:09:32,377 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a 2025-08-31T10:09:32,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a 2025-08-31T10:09:32,380 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a 2025-08-31T10:09:32,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b 2025-08-31T10:09:32,384 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b 2025-08-31T10:09:32,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a 2025-08-31T10:09:32,387 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a 2025-08-31T10:09:32,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b 2025-08-31T10:09:32,390 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b 2025-08-31T10:09:32,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10 2025-08-31T10:09:32,394 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10 2025-08-31T10:09:32,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b 2025-08-31T10:09:32,397 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b 2025-08-31T10:09:32,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b 2025-08-31T10:09:32,400 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b 2025-08-31T10:09:32,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a 2025-08-31T10:09:32,404 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a 2025-08-31T10:09:32,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a 2025-08-31T10:09:32,407 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a 2025-08-31T10:09:32,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a 2025-08-31T10:09:32,410 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a 2025-08-31T10:09:32,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a 2025-08-31T10:09:32,414 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a 2025-08-31T10:09:32,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22 2025-08-31T10:09:32,417 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22 2025-08-31T10:09:32,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18 2025-08-31T10:09:32,420 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18 2025-08-31T10:09:32,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16 2025-08-31T10:09:32,424 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16 2025-08-31T10:09:32,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7 2025-08-31T10:09:32,428 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7 2025-08-31T10:09:32,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a 2025-08-31T10:09:32,432 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a 2025-08-31T10:09:32,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21 2025-08-31T10:09:32,436 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21 2025-08-31T10:09:32,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b 2025-08-31T10:09:32,440 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b 2025-08-31T10:09:32,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13 2025-08-31T10:09:32,444 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13 2025-08-31T10:09:32,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a 2025-08-31T10:09:32,447 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a 2025-08-31T10:09:32,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6 2025-08-31T10:09:32,451 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6 2025-08-31T10:09:32,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a 2025-08-31T10:09:32,455 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a 2025-08-31T10:09:32,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a 2025-08-31T10:09:32,458 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a 2025-08-31T10:09:32,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14 2025-08-31T10:09:32,461 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14 2025-08-31T10:09:32,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a 2025-08-31T10:09:32,464 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a 2025-08-31T10:09:32,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a 2025-08-31T10:09:32,468 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a 2025-08-31T10:09:32,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1 2025-08-31T10:09:32,471 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1 2025-08-31T10:09:32,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15 2025-08-31T10:09:32,474 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15 2025-08-31T10:09:32,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19 2025-08-31T10:09:32,478 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19 2025-08-31T10:09:32,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b 2025-08-31T10:09:32,481 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b 2025-08-31T10:09:32,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b 2025-08-31T10:09:32,484 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b 2025-08-31T10:09:32,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b 2025-08-31T10:09:32,488 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b 2025-08-31T10:09:32,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2 2025-08-31T10:09:32,492 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2 2025-08-31T10:09:32,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20 2025-08-31T10:09:32,495 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20 2025-08-31T10:09:32,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b 2025-08-31T10:09:32,499 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b 2025-08-31T10:09:32,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5 2025-08-31T10:09:32,502 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5 2025-08-31T10:09:32,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b 2025-08-31T10:09:32,506 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b 2025-08-31T10:09:32,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b 2025-08-31T10:09:32,509 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b 2025-08-31T10:09:32,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b 2025-08-31T10:09:32,512 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b 2025-08-31T10:09:32,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b 2025-08-31T10:09:32,516 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b 2025-08-31T10:09:32,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b 2025-08-31T10:09:32,519 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b 2025-08-31T10:09:32,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12 2025-08-31T10:09:32,523 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12 2025-08-31T10:09:32,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b 2025-08-31T10:09:32,526 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b 2025-08-31T10:09:32,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17 2025-08-31T10:09:32,529 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17 2025-08-31T10:09:32,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9 2025-08-31T10:09:32,533 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9 2025-08-31T10:09:32,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a 2025-08-31T10:09:32,536 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a 2025-08-31T10:09:32,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b 2025-08-31T10:09:32,539 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b 2025-08-31T10:09:32,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a 2025-08-31T10:09:32,543 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a 2025-08-31T10:09:32,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b 2025-08-31T10:09:32,546 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b 2025-08-31T10:09:32,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b 2025-08-31T10:09:32,550 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b 2025-08-31T10:09:32,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a 2025-08-31T10:09:32,553 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a 2025-08-31T10:09:32,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a 2025-08-31T10:09:32,556 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a 2025-08-31T10:09:32,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b 2025-08-31T10:09:32,560 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b 2025-08-31T10:09:32,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a 2025-08-31T10:09:32,563 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a 2025-08-31T10:09:32,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a 2025-08-31T10:09:32,567 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a 2025-08-31T10:09:32,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11 2025-08-31T10:09:32,570 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11 2025-08-31T10:09:32,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10 2025-08-31T10:09:32,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1 2025-08-31T10:09:32,576 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1 2025-08-31T10:09:32,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3 2025-08-31T10:09:32,579 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3 2025-08-31T10:09:32,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4 2025-08-31T10:09:32,583 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4 2025-08-31T10:09:32,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1 2025-08-31T10:09:32,586 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1 2025-08-31T10:09:32,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3 2025-08-31T10:09:32,589 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3 2025-08-31T10:09:32,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10 2025-08-31T10:09:32,592 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10 2025-08-31T10:09:32,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10 2025-08-31T10:09:32,596 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10 2025-08-31T10:09:32,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9 2025-08-31T10:09:32,599 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9 2025-08-31T10:09:32,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9 2025-08-31T10:09:32,602 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9 2025-08-31T10:09:32,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8 2025-08-31T10:09:32,606 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8 2025-08-31T10:09:32,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5 2025-08-31T10:09:32,609 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5 2025-08-31T10:09:32,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5 2025-08-31T10:09:32,613 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5 2025-08-31T10:09:32,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2 2025-08-31T10:09:32,616 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2 2025-08-31T10:09:32,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7 2025-08-31T10:09:32,620 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7 2025-08-31T10:09:32,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4 2025-08-31T10:09:32,624 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4 2025-08-31T10:09:32,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6 2025-08-31T10:09:32,627 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6 2025-08-31T10:09:32,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6 2025-08-31T10:09:32,631 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6 2025-08-31T10:09:32,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8 2025-08-31T10:09:32,634 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8 2025-08-31T10:09:32,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2 2025-08-31T10:09:32,638 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2 2025-08-31T10:09:32,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7 2025-08-31T10:09:32,641 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7 2025-08-31T10:09:32,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22 2025-08-31T10:09:32,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02 2025-08-31T10:09:32,648 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02 2025-08-31T10:09:32,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a 2025-08-31T10:09:32,651 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a 2025-08-31T10:09:32,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a 2025-08-31T10:09:32,655 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a 2025-08-31T10:09:32,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08 2025-08-31T10:09:32,658 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08 2025-08-31T10:09:32,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a 2025-08-31T10:09:32,662 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a 2025-08-31T10:09:32,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b 2025-08-31T10:09:32,666 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b 2025-08-31T10:09:32,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b 2025-08-31T10:09:32,669 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b 2025-08-31T10:09:32,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a 2025-08-31T10:09:32,673 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a 2025-08-31T10:09:32,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b 2025-08-31T10:09:32,676 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b 2025-08-31T10:09:32,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a 2025-08-31T10:09:32,680 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a 2025-08-31T10:09:32,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06 2025-08-31T10:09:32,683 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06 2025-08-31T10:09:32,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a 2025-08-31T10:09:32,687 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a 2025-08-31T10:09:32,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10 2025-08-31T10:09:32,690 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10 2025-08-31T10:09:32,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a 2025-08-31T10:09:32,694 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a 2025-08-31T10:09:32,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a 2025-08-31T10:09:32,698 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a 2025-08-31T10:09:32,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b 2025-08-31T10:09:32,701 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b 2025-08-31T10:09:32,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a 2025-08-31T10:09:32,705 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a 2025-08-31T10:09:32,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22 2025-08-31T10:09:32,709 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22 2025-08-31T10:09:32,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18 2025-08-31T10:09:32,712 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18 2025-08-31T10:09:32,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16 2025-08-31T10:09:32,716 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16 2025-08-31T10:09:32,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04 2025-08-31T10:09:32,719 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04 2025-08-31T10:09:32,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a 2025-08-31T10:09:32,722 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a 2025-08-31T10:09:32,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a 2025-08-31T10:09:32,726 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a 2025-08-31T10:09:32,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09 2025-08-31T10:09:32,730 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09 2025-08-31T10:09:32,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a 2025-08-31T10:09:32,733 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a 2025-08-31T10:09:32,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b 2025-08-31T10:09:32,737 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b 2025-08-31T10:09:32,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21 2025-08-31T10:09:32,740 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21 2025-08-31T10:09:32,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13 2025-08-31T10:09:32,744 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13 2025-08-31T10:09:32,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a 2025-08-31T10:09:32,747 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a 2025-08-31T10:09:32,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14 2025-08-31T10:09:32,751 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14 2025-08-31T10:09:32,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a 2025-08-31T10:09:32,754 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a 2025-08-31T10:09:32,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a 2025-08-31T10:09:32,758 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a 2025-08-31T10:09:32,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15 2025-08-31T10:09:32,761 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15 2025-08-31T10:09:32,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a 2025-08-31T10:09:32,765 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a 2025-08-31T10:09:32,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19 2025-08-31T10:09:32,768 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19 2025-08-31T10:09:32,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01 2025-08-31T10:09:32,772 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01 2025-08-31T10:09:32,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b 2025-08-31T10:09:32,775 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b 2025-08-31T10:09:32,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03 2025-08-31T10:09:32,779 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03 2025-08-31T10:09:32,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20 2025-08-31T10:09:32,782 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20 2025-08-31T10:09:32,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b 2025-08-31T10:09:32,786 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b 2025-08-31T10:09:32,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b 2025-08-31T10:09:32,789 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b 2025-08-31T10:09:32,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b 2025-08-31T10:09:32,793 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b 2025-08-31T10:09:32,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b 2025-08-31T10:09:32,796 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b 2025-08-31T10:09:32,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12 2025-08-31T10:09:32,800 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12 2025-08-31T10:09:32,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b 2025-08-31T10:09:32,804 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b 2025-08-31T10:09:32,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17 2025-08-31T10:09:32,807 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17 2025-08-31T10:09:32,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a 2025-08-31T10:09:32,811 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a 2025-08-31T10:09:32,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a 2025-08-31T10:09:32,814 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a 2025-08-31T10:09:32,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05 2025-08-31T10:09:32,818 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05 2025-08-31T10:09:32,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b 2025-08-31T10:09:32,821 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b 2025-08-31T10:09:32,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a 2025-08-31T10:09:32,825 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a 2025-08-31T10:09:32,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b 2025-08-31T10:09:32,829 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b 2025-08-31T10:09:32,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a 2025-08-31T10:09:32,832 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a 2025-08-31T10:09:32,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07 2025-08-31T10:09:32,836 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07 2025-08-31T10:09:32,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a 2025-08-31T10:09:32,840 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a 2025-08-31T10:09:32,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a 2025-08-31T10:09:32,843 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a 2025-08-31T10:09:32,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11 2025-08-31T10:09:32,847 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11 2025-08-31T10:09:32,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4 2025-08-31T10:09:32,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab 2025-08-31T10:09:32,854 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab 2025-08-31T10:09:32,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag 2025-08-31T10:09:32,857 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag 2025-08-31T10:09:32,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah 2025-08-31T10:09:32,861 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah 2025-08-31T10:09:32,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad 2025-08-31T10:09:32,864 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad 2025-08-31T10:09:32,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag 2025-08-31T10:09:32,868 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag 2025-08-31T10:09:32,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab 2025-08-31T10:09:32,871 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab 2025-08-31T10:09:32,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf 2025-08-31T10:09:32,875 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf 2025-08-31T10:09:32,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae 2025-08-31T10:09:32,878 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae 2025-08-31T10:09:32,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf 2025-08-31T10:09:32,882 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf 2025-08-31T10:09:32,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay 2025-08-31T10:09:32,886 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay 2025-08-31T10:09:32,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag 2025-08-31T10:09:32,889 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag 2025-08-31T10:09:32,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi 2025-08-31T10:09:32,893 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi 2025-08-31T10:09:32,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav 2025-08-31T10:09:32,897 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav 2025-08-31T10:09:32,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj 2025-08-31T10:09:32,900 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj 2025-08-31T10:09:32,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah 2025-08-31T10:09:32,904 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah 2025-08-31T10:09:32,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan 2025-08-31T10:09:32,907 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan 2025-08-31T10:09:32,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao 2025-08-31T10:09:32,911 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao 2025-08-31T10:09:32,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap 2025-08-31T10:09:32,914 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap 2025-08-31T10:09:32,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf 2025-08-31T10:09:32,918 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf 2025-08-31T10:09:32,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah 2025-08-31T10:09:32,921 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah 2025-08-31T10:09:32,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau 2025-08-31T10:09:32,925 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau 2025-08-31T10:09:32,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab 2025-08-31T10:09:32,929 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab 2025-08-31T10:09:32,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf 2025-08-31T10:09:32,932 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf 2025-08-31T10:09:32,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag 2025-08-31T10:09:32,936 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag 2025-08-31T10:09:32,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan 2025-08-31T10:09:32,939 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan 2025-08-31T10:09:32,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad 2025-08-31T10:09:32,943 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad 2025-08-31T10:09:32,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx 2025-08-31T10:09:32,946 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx 2025-08-31T10:09:32,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq 2025-08-31T10:09:32,950 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq 2025-08-31T10:09:32,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad 2025-08-31T10:09:32,953 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad 2025-08-31T10:09:32,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo 2025-08-31T10:09:32,957 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo 2025-08-31T10:09:32,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac 2025-08-31T10:09:32,960 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac 2025-08-31T10:09:32,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah 2025-08-31T10:09:32,964 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah 2025-08-31T10:09:32,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan 2025-08-31T10:09:32,967 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan 2025-08-31T10:09:32,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar 2025-08-31T10:09:32,971 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar 2025-08-31T10:09:32,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac 2025-08-31T10:09:32,975 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac 2025-08-31T10:09:32,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae 2025-08-31T10:09:32,978 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae 2025-08-31T10:09:32,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal 2025-08-31T10:09:32,982 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal 2025-08-31T10:09:32,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak 2025-08-31T10:09:32,985 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak 2025-08-31T10:09:32,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav 2025-08-31T10:09:32,988 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav 2025-08-31T10:09:32,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar 2025-08-31T10:09:32,992 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar 2025-08-31T10:09:32,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab 2025-08-31T10:09:32,995 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab 2025-08-31T10:09:32,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat 2025-08-31T10:09:32,999 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat 2025-08-31T10:09:33,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab 2025-08-31T10:09:33,003 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab 2025-08-31T10:09:33,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae 2025-08-31T10:09:33,006 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae 2025-08-31T10:09:33,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz 2025-08-31T10:09:33,010 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz 2025-08-31T10:09:33,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak 2025-08-31T10:09:33,014 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak 2025-08-31T10:09:33,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc 2025-08-31T10:09:33,018 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc 2025-08-31T10:09:33,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf 2025-08-31T10:09:33,021 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf 2025-08-31T10:09:33,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah 2025-08-31T10:09:33,025 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah 2025-08-31T10:09:33,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj 2025-08-31T10:09:33,028 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj 2025-08-31T10:09:33,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao 2025-08-31T10:09:33,032 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao 2025-08-31T10:09:33,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad 2025-08-31T10:09:33,036 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad 2025-08-31T10:09:33,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae 2025-08-31T10:09:33,039 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae 2025-08-31T10:09:33,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal 2025-08-31T10:09:33,043 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal 2025-08-31T10:09:33,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb 2025-08-31T10:09:33,046 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb 2025-08-31T10:09:33,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah 2025-08-31T10:09:33,050 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah 2025-08-31T10:09:33,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar 2025-08-31T10:09:33,053 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar 2025-08-31T10:09:33,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap 2025-08-31T10:09:33,057 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap 2025-08-31T10:09:33,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab 2025-08-31T10:09:33,060 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab 2025-08-31T10:09:33,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae 2025-08-31T10:09:33,064 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae 2025-08-31T10:09:33,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah 2025-08-31T10:09:33,067 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah 2025-08-31T10:09:33,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab 2025-08-31T10:09:33,070 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab 2025-08-31T10:09:33,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau 2025-08-31T10:09:33,074 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau 2025-08-31T10:09:33,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci 2025-08-31T10:09:33,077 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci 2025-08-31T10:09:33,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag 2025-08-31T10:09:33,081 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag 2025-08-31T10:09:33,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag 2025-08-31T10:09:33,084 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag 2025-08-31T10:09:33,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag 2025-08-31T10:09:33,088 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag 2025-08-31T10:09:33,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam 2025-08-31T10:09:33,092 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam 2025-08-31T10:09:33,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv 2025-08-31T10:09:33,095 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv 2025-08-31T10:09:33,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak 2025-08-31T10:09:33,099 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak 2025-08-31T10:09:33,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai 2025-08-31T10:09:33,103 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai 2025-08-31T10:09:33,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas 2025-08-31T10:09:33,107 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas 2025-08-31T10:09:33,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal 2025-08-31T10:09:33,110 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal 2025-08-31T10:09:33,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq 2025-08-31T10:09:33,114 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq 2025-08-31T10:09:33,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav 2025-08-31T10:09:33,117 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav 2025-08-31T10:09:33,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac 2025-08-31T10:09:33,121 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac 2025-08-31T10:09:33,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar 2025-08-31T10:09:33,124 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar 2025-08-31T10:09:33,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao 2025-08-31T10:09:33,128 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao 2025-08-31T10:09:33,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag 2025-08-31T10:09:33,131 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag 2025-08-31T10:09:33,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac 2025-08-31T10:09:33,135 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac 2025-08-31T10:09:33,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat 2025-08-31T10:09:33,138 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat 2025-08-31T10:09:33,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai 2025-08-31T10:09:33,142 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai 2025-08-31T10:09:33,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq 2025-08-31T10:09:33,146 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq 2025-08-31T10:09:33,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal 2025-08-31T10:09:33,149 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal 2025-08-31T10:09:33,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad 2025-08-31T10:09:33,153 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad 2025-08-31T10:09:33,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq 2025-08-31T10:09:33,156 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq 2025-08-31T10:09:33,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah 2025-08-31T10:09:33,160 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah 2025-08-31T10:09:33,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby 2025-08-31T10:09:33,163 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby 2025-08-31T10:09:33,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw 2025-08-31T10:09:33,167 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw 2025-08-31T10:09:33,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm 2025-08-31T10:09:33,170 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm 2025-08-31T10:09:33,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj 2025-08-31T10:09:33,174 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj 2025-08-31T10:09:33,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak 2025-08-31T10:09:33,177 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak 2025-08-31T10:09:33,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf 2025-08-31T10:09:33,181 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf 2025-08-31T10:09:33,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap 2025-08-31T10:09:33,185 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap 2025-08-31T10:09:33,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal 2025-08-31T10:09:33,188 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal 2025-08-31T10:09:33,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai 2025-08-31T10:09:33,192 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai 2025-08-31T10:09:33,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad 2025-08-31T10:09:33,196 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad 2025-08-31T10:09:33,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan 2025-08-31T10:09:33,199 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan 2025-08-31T10:09:33,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak 2025-08-31T10:09:33,202 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak 2025-08-31T10:09:33,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad 2025-08-31T10:09:33,206 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad 2025-08-31T10:09:33,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34 2025-08-31T10:09:33,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5 2025-08-31T10:09:33,213 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5 2025-08-31T10:09:33,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29 2025-08-31T10:09:33,216 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29 2025-08-31T10:09:33,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1 2025-08-31T10:09:33,220 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1 2025-08-31T10:09:33,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13 2025-08-31T10:09:33,223 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13 2025-08-31T10:09:33,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17 2025-08-31T10:09:33,227 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17 2025-08-31T10:09:33,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18 2025-08-31T10:09:33,231 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18 2025-08-31T10:09:33,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17 2025-08-31T10:09:33,235 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17 2025-08-31T10:09:33,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15 2025-08-31T10:09:33,238 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15 2025-08-31T10:09:33,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32 2025-08-31T10:09:33,242 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32 2025-08-31T10:09:33,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12 2025-08-31T10:09:33,246 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12 2025-08-31T10:09:33,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28 2025-08-31T10:09:33,249 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28 2025-08-31T10:09:33,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33 2025-08-31T10:09:33,253 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33 2025-08-31T10:09:33,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18 2025-08-31T10:09:33,257 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18 2025-08-31T10:09:33,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7 2025-08-31T10:09:33,260 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7 2025-08-31T10:09:33,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20 2025-08-31T10:09:33,264 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20 2025-08-31T10:09:33,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14 2025-08-31T10:09:33,267 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14 2025-08-31T10:09:33,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25 2025-08-31T10:09:33,271 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25 2025-08-31T10:09:33,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23 2025-08-31T10:09:33,275 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23 2025-08-31T10:09:33,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8 2025-08-31T10:09:33,279 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8 2025-08-31T10:09:33,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3 2025-08-31T10:09:33,282 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3 2025-08-31T10:09:33,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4 2025-08-31T10:09:33,285 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4 2025-08-31T10:09:33,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7 2025-08-31T10:09:33,289 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7 2025-08-31T10:09:33,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19 2025-08-31T10:09:33,292 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19 2025-08-31T10:09:33,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27 2025-08-31T10:09:33,295 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27 2025-08-31T10:09:33,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30 2025-08-31T10:09:33,299 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30 2025-08-31T10:09:33,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33 2025-08-31T10:09:33,302 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33 2025-08-31T10:09:33,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9 2025-08-31T10:09:33,306 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9 2025-08-31T10:09:33,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27 2025-08-31T10:09:33,309 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27 2025-08-31T10:09:33,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25 2025-08-31T10:09:33,313 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25 2025-08-31T10:09:33,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16 2025-08-31T10:09:33,316 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16 2025-08-31T10:09:33,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21 2025-08-31T10:09:33,320 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21 2025-08-31T10:09:33,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12 2025-08-31T10:09:33,323 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12 2025-08-31T10:09:33,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6 2025-08-31T10:09:33,327 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6 2025-08-31T10:09:33,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31 2025-08-31T10:09:33,330 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31 2025-08-31T10:09:33,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4 2025-08-31T10:09:33,334 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4 2025-08-31T10:09:33,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16 2025-08-31T10:09:33,338 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16 2025-08-31T10:09:33,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20 2025-08-31T10:09:33,343 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20 2025-08-31T10:09:33,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13 2025-08-31T10:09:33,347 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13 2025-08-31T10:09:33,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30 2025-08-31T10:09:33,350 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30 2025-08-31T10:09:33,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24 2025-08-31T10:09:33,354 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24 2025-08-31T10:09:33,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34 2025-08-31T10:09:33,358 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34 2025-08-31T10:09:33,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24 2025-08-31T10:09:33,362 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24 2025-08-31T10:09:33,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34 2025-08-31T10:09:33,365 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34 2025-08-31T10:09:33,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31 2025-08-31T10:09:33,369 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31 2025-08-31T10:09:33,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22 2025-08-31T10:09:33,372 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22 2025-08-31T10:09:33,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8 2025-08-31T10:09:33,376 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8 2025-08-31T10:09:33,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23 2025-08-31T10:09:33,379 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23 2025-08-31T10:09:33,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1 2025-08-31T10:09:33,383 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1 2025-08-31T10:09:33,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26 2025-08-31T10:09:33,386 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26 2025-08-31T10:09:33,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10 2025-08-31T10:09:33,390 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10 2025-08-31T10:09:33,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21 2025-08-31T10:09:33,394 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21 2025-08-31T10:09:33,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9 2025-08-31T10:09:33,397 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9 2025-08-31T10:09:33,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14 2025-08-31T10:09:33,401 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14 2025-08-31T10:09:33,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11 2025-08-31T10:09:33,404 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11 2025-08-31T10:09:33,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32 2025-08-31T10:09:33,408 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32 2025-08-31T10:09:33,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15 2025-08-31T10:09:33,411 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15 2025-08-31T10:09:33,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28 2025-08-31T10:09:33,415 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28 2025-08-31T10:09:33,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26 2025-08-31T10:09:33,418 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26 2025-08-31T10:09:33,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29 2025-08-31T10:09:33,422 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29 2025-08-31T10:09:33,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3 2025-08-31T10:09:33,426 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3 2025-08-31T10:09:33,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2 2025-08-31T10:09:33,429 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2 2025-08-31T10:09:33,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10 2025-08-31T10:09:33,433 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10 2025-08-31T10:09:33,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11 2025-08-31T10:09:33,436 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11 2025-08-31T10:09:33,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10 2025-08-31T10:09:33,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2 2025-08-31T10:09:33,442 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2 2025-08-31T10:09:33,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+ 2025-08-31T10:09:33,445 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+ 2025-08-31T10:09:33,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+ 2025-08-31T10:09:33,449 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+ 2025-08-31T10:09:33,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+ 2025-08-31T10:09:33,452 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+ 2025-08-31T10:09:33,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3 2025-08-31T10:09:33,456 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3 2025-08-31T10:09:33,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be 2025-08-31T10:09:33,459 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be 2025-08-31T10:09:33,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4 2025-08-31T10:09:33,463 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4 2025-08-31T10:09:33,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+ 2025-08-31T10:09:33,466 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+ 2025-08-31T10:09:33,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+ 2025-08-31T10:09:33,470 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+ 2025-08-31T10:09:33,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+ 2025-08-31T10:09:33,473 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+ 2025-08-31T10:09:33,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+ 2025-08-31T10:09:33,477 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+ 2025-08-31T10:09:33,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3 2025-08-31T10:09:33,480 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3 2025-08-31T10:09:33,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+ 2025-08-31T10:09:33,484 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+ 2025-08-31T10:09:33,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg 2025-08-31T10:09:33,487 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg 2025-08-31T10:09:33,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s 2025-08-31T10:09:33,491 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s 2025-08-31T10:09:33,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o 2025-08-31T10:09:33,495 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o 2025-08-31T10:09:33,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+ 2025-08-31T10:09:33,499 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+ 2025-08-31T10:09:33,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6 2025-08-31T10:09:33,502 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6 2025-08-31T10:09:33,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+ 2025-08-31T10:09:33,505 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+ 2025-08-31T10:09:33,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4 2025-08-31T10:09:33,509 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4 2025-08-31T10:09:33,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL 2025-08-31T10:09:33,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62 2025-08-31T10:09:33,515 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62 2025-08-31T10:09:33,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24 2025-08-31T10:09:33,518 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24 2025-08-31T10:09:33,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13 2025-08-31T10:09:33,522 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13 2025-08-31T10:09:33,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42 2025-08-31T10:09:33,525 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42 2025-08-31T10:09:33,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63 2025-08-31T10:09:33,529 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63 2025-08-31T10:09:33,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11 2025-08-31T10:09:33,532 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11 2025-08-31T10:09:33,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10 2025-08-31T10:09:33,536 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10 2025-08-31T10:09:33,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27 2025-08-31T10:09:33,539 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27 2025-08-31T10:09:33,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15 2025-08-31T10:09:33,543 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15 2025-08-31T10:09:33,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21 2025-08-31T10:09:33,546 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21 2025-08-31T10:09:33,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56 2025-08-31T10:09:33,549 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56 2025-08-31T10:09:33,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45 2025-08-31T10:09:33,553 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45 2025-08-31T10:09:33,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3 2025-08-31T10:09:33,557 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3 2025-08-31T10:09:33,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64 2025-08-31T10:09:33,560 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64 2025-08-31T10:09:33,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49 2025-08-31T10:09:33,564 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49 2025-08-31T10:09:33,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44 2025-08-31T10:09:33,567 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44 2025-08-31T10:09:33,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32 2025-08-31T10:09:33,571 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32 2025-08-31T10:09:33,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20 2025-08-31T10:09:33,574 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20 2025-08-31T10:09:33,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35 2025-08-31T10:09:33,578 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35 2025-08-31T10:09:33,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40 2025-08-31T10:09:33,581 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40 2025-08-31T10:09:33,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25 2025-08-31T10:09:33,585 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25 2025-08-31T10:09:33,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14 2025-08-31T10:09:33,588 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14 2025-08-31T10:09:33,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29 2025-08-31T10:09:33,591 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29 2025-08-31T10:09:33,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4 2025-08-31T10:09:33,595 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4 2025-08-31T10:09:33,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22 2025-08-31T10:09:33,598 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22 2025-08-31T10:09:33,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16 2025-08-31T10:09:33,602 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16 2025-08-31T10:09:33,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34 2025-08-31T10:09:33,605 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34 2025-08-31T10:09:33,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28 2025-08-31T10:09:33,609 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28 2025-08-31T10:09:33,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2 2025-08-31T10:09:33,613 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2 2025-08-31T10:09:33,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9 2025-08-31T10:09:33,616 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9 2025-08-31T10:09:33,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18 2025-08-31T10:09:33,620 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18 2025-08-31T10:09:33,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19 2025-08-31T10:09:33,623 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19 2025-08-31T10:09:33,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50 2025-08-31T10:09:33,627 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50 2025-08-31T10:09:33,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57 2025-08-31T10:09:33,631 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57 2025-08-31T10:09:33,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41 2025-08-31T10:09:33,634 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41 2025-08-31T10:09:33,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1 2025-08-31T10:09:33,637 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1 2025-08-31T10:09:33,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31 2025-08-31T10:09:33,641 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31 2025-08-31T10:09:33,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38 2025-08-31T10:09:33,644 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38 2025-08-31T10:09:33,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8 2025-08-31T10:09:33,648 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8 2025-08-31T10:09:33,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65 2025-08-31T10:09:33,652 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65 2025-08-31T10:09:33,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12 2025-08-31T10:09:33,655 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12 2025-08-31T10:09:33,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51 2025-08-31T10:09:33,659 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51 2025-08-31T10:09:33,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55 2025-08-31T10:09:33,662 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55 2025-08-31T10:09:33,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17 2025-08-31T10:09:33,666 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17 2025-08-31T10:09:33,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33 2025-08-31T10:09:33,669 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33 2025-08-31T10:09:33,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59 2025-08-31T10:09:33,673 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59 2025-08-31T10:09:33,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37 2025-08-31T10:09:33,676 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37 2025-08-31T10:09:33,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47 2025-08-31T10:09:33,680 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47 2025-08-31T10:09:33,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48 2025-08-31T10:09:33,683 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48 2025-08-31T10:09:33,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53 2025-08-31T10:09:33,687 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53 2025-08-31T10:09:33,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61 2025-08-31T10:09:33,690 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61 2025-08-31T10:09:33,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6 2025-08-31T10:09:33,694 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6 2025-08-31T10:09:33,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39 2025-08-31T10:09:33,698 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39 2025-08-31T10:09:33,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54 2025-08-31T10:09:33,702 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54 2025-08-31T10:09:33,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5 2025-08-31T10:09:33,706 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5 2025-08-31T10:09:33,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60 2025-08-31T10:09:33,710 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60 2025-08-31T10:09:33,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7 2025-08-31T10:09:33,714 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7 2025-08-31T10:09:33,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43 2025-08-31T10:09:33,717 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43 2025-08-31T10:09:33,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26 2025-08-31T10:09:33,721 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26 2025-08-31T10:09:33,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23 2025-08-31T10:09:33,724 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23 2025-08-31T10:09:33,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36 2025-08-31T10:09:33,727 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36 2025-08-31T10:09:33,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58 2025-08-31T10:09:33,731 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58 2025-08-31T10:09:33,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52 2025-08-31T10:09:33,734 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52 2025-08-31T10:09:33,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46 2025-08-31T10:09:33,737 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46 2025-08-31T10:09:33,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30 2025-08-31T10:09:33,741 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30 2025-08-31T10:09:33,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20 2025-08-31T10:09:33,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51 2025-08-31T10:09:33,747 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51 2025-08-31T10:09:33,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49 2025-08-31T10:09:33,750 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49 2025-08-31T10:09:33,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45 2025-08-31T10:09:33,753 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45 2025-08-31T10:09:33,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48 2025-08-31T10:09:33,757 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48 2025-08-31T10:09:33,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46 2025-08-31T10:09:33,760 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46 2025-08-31T10:09:33,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40 2025-08-31T10:09:33,764 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40 2025-08-31T10:09:33,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60 2025-08-31T10:09:33,767 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60 2025-08-31T10:09:33,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40 2025-08-31T10:09:33,770 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40 2025-08-31T10:09:33,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56 2025-08-31T10:09:33,773 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56 2025-08-31T10:09:33,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22 2025-08-31T10:09:33,777 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22 2025-08-31T10:09:33,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49 2025-08-31T10:09:33,780 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49 2025-08-31T10:09:33,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26 2025-08-31T10:09:33,784 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26 2025-08-31T10:09:33,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51 2025-08-31T10:09:33,787 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51 2025-08-31T10:09:33,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44 2025-08-31T10:09:33,790 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44 2025-08-31T10:09:33,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47 2025-08-31T10:09:33,794 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47 2025-08-31T10:09:33,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20 2025-08-31T10:09:33,797 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20 2025-08-31T10:09:33,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25 2025-08-31T10:09:33,800 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25 2025-08-31T10:09:33,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28 2025-08-31T10:09:33,804 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28 2025-08-31T10:09:33,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48 2025-08-31T10:09:33,807 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48 2025-08-31T10:09:33,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56 2025-08-31T10:09:33,810 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56 2025-08-31T10:09:33,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43 2025-08-31T10:09:33,814 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43 2025-08-31T10:09:33,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45 2025-08-31T10:09:33,817 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45 2025-08-31T10:09:33,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46 2025-08-31T10:09:33,821 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46 2025-08-31T10:09:33,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22 2025-08-31T10:09:33,824 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22 2025-08-31T10:09:33,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52 2025-08-31T10:09:33,828 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52 2025-08-31T10:09:33,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44 2025-08-31T10:09:33,831 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44 2025-08-31T10:09:33,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20 2025-08-31T10:09:33,835 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20 2025-08-31T10:09:33,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21 2025-08-31T10:09:33,838 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21 2025-08-31T10:09:33,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26 2025-08-31T10:09:33,842 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26 2025-08-31T10:09:33,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25 2025-08-31T10:09:33,845 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25 2025-08-31T10:09:33,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52 2025-08-31T10:09:33,848 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52 2025-08-31T10:09:33,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47 2025-08-31T10:09:33,852 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47 2025-08-31T10:09:33,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57 2025-08-31T10:09:33,855 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57 2025-08-31T10:09:33,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43 2025-08-31T10:09:33,859 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43 2025-08-31T10:09:33,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29 2025-08-31T10:09:33,862 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29 2025-08-31T10:09:33,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60 2025-08-31T10:09:33,866 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60 2025-08-31T10:09:33,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21 2025-08-31T10:09:33,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e 2025-08-31T10:09:33,872 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e 2025-08-31T10:09:33,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3 2025-08-31T10:09:33,875 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3 2025-08-31T10:09:33,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2 2025-08-31T10:09:33,879 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2 2025-08-31T10:09:33,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1 2025-08-31T10:09:33,883 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1 2025-08-31T10:09:33,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1 2025-08-31T10:09:33,886 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1 2025-08-31T10:09:33,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e 2025-08-31T10:09:33,890 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e 2025-08-31T10:09:33,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p 2025-08-31T10:09:33,893 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p 2025-08-31T10:09:33,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr 2025-08-31T10:09:33,896 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr 2025-08-31T10:09:33,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e 2025-08-31T10:09:33,899 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e 2025-08-31T10:09:33,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e 2025-08-31T10:09:33,903 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e 2025-08-31T10:09:33,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1 2025-08-31T10:09:33,906 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1 2025-08-31T10:09:33,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2 2025-08-31T10:09:33,910 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2 2025-08-31T10:09:33,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2 2025-08-31T10:09:33,913 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2 2025-08-31T10:09:33,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1 2025-08-31T10:09:33,917 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1 2025-08-31T10:09:33,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4 2025-08-31T10:09:33,920 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4 2025-08-31T10:09:33,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1 2025-08-31T10:09:33,923 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1 2025-08-31T10:09:33,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6 2025-08-31T10:09:33,927 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6 2025-08-31T10:09:33,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2 2025-08-31T10:09:33,930 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2 2025-08-31T10:09:33,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p 2025-08-31T10:09:33,934 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p 2025-08-31T10:09:33,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1 2025-08-31T10:09:33,937 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1 2025-08-31T10:09:33,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3 2025-08-31T10:09:33,941 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3 2025-08-31T10:09:33,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene 2025-08-31T10:09:33,944 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene 2025-08-31T10:09:33,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e 2025-08-31T10:09:33,947 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e 2025-08-31T10:09:33,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me 2025-08-31T10:09:33,951 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me 2025-08-31T10:09:33,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2 2025-08-31T10:09:33,955 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2 2025-08-31T10:09:33,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e 2025-08-31T10:09:33,958 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e 2025-08-31T10:09:33,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1 2025-08-31T10:09:33,961 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1 2025-08-31T10:09:33,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1 2025-08-31T10:09:33,965 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1 2025-08-31T10:09:33,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1 2025-08-31T10:09:33,970 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1 2025-08-31T10:09:33,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3 2025-08-31T10:09:33,981 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3 2025-08-31T10:09:33,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e 2025-08-31T10:09:33,984 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e 2025-08-31T10:09:33,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int 2025-08-31T10:09:33,988 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int 2025-08-31T10:09:33,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e 2025-08-31T10:09:33,991 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e 2025-08-31T10:09:33,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2 2025-08-31T10:09:33,994 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2 2025-08-31T10:09:33,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e 2025-08-31T10:09:34,001 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e 2025-08-31T10:09:34,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3 2025-08-31T10:09:34,006 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3 2025-08-31T10:09:34,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3 2025-08-31T10:09:34,009 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3 2025-08-31T10:09:34,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3 2025-08-31T10:09:34,012 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3 2025-08-31T10:09:34,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5 2025-08-31T10:09:34,016 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5 2025-08-31T10:09:34,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2 2025-08-31T10:09:34,019 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2 2025-08-31T10:09:34,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e 2025-08-31T10:09:34,022 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e 2025-08-31T10:09:34,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05 2025-08-31T10:09:34,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl 2025-08-31T10:09:34,030 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl 2025-08-31T10:09:34,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3 2025-08-31T10:09:34,033 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3 2025-08-31T10:09:34,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n 2025-08-31T10:09:34,037 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n 2025-08-31T10:09:34,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2 2025-08-31T10:09:34,040 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2 2025-08-31T10:09:34,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A 2025-08-31T10:09:34,043 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A 2025-08-31T10:09:34,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s 2025-08-31T10:09:34,046 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s 2025-08-31T10:09:34,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5 2025-08-31T10:09:34,050 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5 2025-08-31T10:09:34,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he 2025-08-31T10:09:34,053 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he 2025-08-31T10:09:34,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68 2025-08-31T10:09:34,056 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68 2025-08-31T10:09:34,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74 2025-08-31T10:09:34,060 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74 2025-08-31T10:09:34,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71 2025-08-31T10:09:34,063 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71 2025-08-31T10:09:34,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1 2025-08-31T10:09:34,067 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1 2025-08-31T10:09:34,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans 2025-08-31T10:09:34,070 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans 2025-08-31T10:09:34,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar 2025-08-31T10:09:34,074 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar 2025-08-31T10:09:34,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh 2025-08-31T10:09:34,077 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh 2025-08-31T10:09:34,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80 2025-08-31T10:09:34,080 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80 2025-08-31T10:09:34,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2 2025-08-31T10:09:34,083 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2 2025-08-31T10:09:34,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S 2025-08-31T10:09:34,087 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S 2025-08-31T10:09:34,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts 2025-08-31T10:09:34,090 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts 2025-08-31T10:09:34,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A 2025-08-31T10:09:34,093 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A 2025-08-31T10:09:34,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh 2025-08-31T10:09:34,097 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh 2025-08-31T10:09:34,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc 2025-08-31T10:09:34,100 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc 2025-08-31T10:09:34,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4 2025-08-31T10:09:34,104 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4 2025-08-31T10:09:34,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75 2025-08-31T10:09:34,108 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75 2025-08-31T10:09:34,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1 2025-08-31T10:09:34,111 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1 2025-08-31T10:09:34,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis 2025-08-31T10:09:34,115 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis 2025-08-31T10:09:34,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8 2025-08-31T10:09:34,119 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8 2025-08-31T10:09:34,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76 2025-08-31T10:09:34,122 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76 2025-08-31T10:09:34,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2 2025-08-31T10:09:34,125 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2 2025-08-31T10:09:34,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr 2025-08-31T10:09:34,129 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr 2025-08-31T10:09:34,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2 2025-08-31T10:09:34,132 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2 2025-08-31T10:09:34,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf 2025-08-31T10:09:34,136 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf 2025-08-31T10:09:34,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf 2025-08-31T10:09:34,139 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf 2025-08-31T10:09:34,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al 2025-08-31T10:09:34,142 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al 2025-08-31T10:09:34,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k 2025-08-31T10:09:34,146 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k 2025-08-31T10:09:34,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3 2025-08-31T10:09:34,149 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3 2025-08-31T10:09:34,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c 2025-08-31T10:09:34,153 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c 2025-08-31T10:09:34,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be 2025-08-31T10:09:34,156 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be 2025-08-31T10:09:34,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis 2025-08-31T10:09:34,159 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis 2025-08-31T10:09:34,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p 2025-08-31T10:09:34,162 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p 2025-08-31T10:09:34,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2 2025-08-31T10:09:34,166 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2 2025-08-31T10:09:34,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B 2025-08-31T10:09:34,169 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B 2025-08-31T10:09:34,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+ 2025-08-31T10:09:34,172 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+ 2025-08-31T10:09:34,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar 2025-08-31T10:09:34,176 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar 2025-08-31T10:09:34,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH 2025-08-31T10:09:34,179 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH 2025-08-31T10:09:34,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64 2025-08-31T10:09:34,183 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64 2025-08-31T10:09:34,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2 2025-08-31T10:09:34,186 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2 2025-08-31T10:09:34,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34 2025-08-31T10:09:34,190 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34 2025-08-31T10:09:34,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s 2025-08-31T10:09:34,193 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s 2025-08-31T10:09:34,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco 2025-08-31T10:09:34,197 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco 2025-08-31T10:09:34,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr 2025-08-31T10:09:34,200 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr 2025-08-31T10:09:34,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20 2025-08-31T10:09:34,203 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20 2025-08-31T10:09:34,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73 2025-08-31T10:09:34,207 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73 2025-08-31T10:09:34,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2 2025-08-31T10:09:34,210 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2 2025-08-31T10:09:34,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b 2025-08-31T10:09:34,213 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b 2025-08-31T10:09:34,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf 2025-08-31T10:09:34,216 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf 2025-08-31T10:09:34,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+ 2025-08-31T10:09:34,220 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+ 2025-08-31T10:09:34,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2 2025-08-31T10:09:34,223 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2 2025-08-31T10:09:34,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2 2025-08-31T10:09:34,226 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2 2025-08-31T10:09:34,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a 2025-08-31T10:09:34,230 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a 2025-08-31T10:09:34,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3 2025-08-31T10:09:34,233 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3 2025-08-31T10:09:34,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3 2025-08-31T10:09:34,237 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3 2025-08-31T10:09:34,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+ 2025-08-31T10:09:34,241 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+ 2025-08-31T10:09:34,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f 2025-08-31T10:09:34,244 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f 2025-08-31T10:09:34,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic 2025-08-31T10:09:34,248 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic 2025-08-31T10:09:34,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts 2025-08-31T10:09:34,251 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts 2025-08-31T10:09:34,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18 2025-08-31T10:09:34,254 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18 2025-08-31T10:09:34,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS 2025-08-31T10:09:34,258 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS 2025-08-31T10:09:34,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH 2025-08-31T10:09:34,261 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH 2025-08-31T10:09:34,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59 2025-08-31T10:09:34,265 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59 2025-08-31T10:09:34,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20 2025-08-31T10:09:34,268 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20 2025-08-31T10:09:34,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40 2025-08-31T10:09:34,272 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40 2025-08-31T10:09:34,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2 2025-08-31T10:09:34,276 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2 2025-08-31T10:09:34,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr 2025-08-31T10:09:34,280 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr 2025-08-31T10:09:34,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr 2025-08-31T10:09:34,283 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr 2025-08-31T10:09:34,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47 2025-08-31T10:09:34,287 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47 2025-08-31T10:09:34,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67 2025-08-31T10:09:34,290 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67 2025-08-31T10:09:34,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2 2025-08-31T10:09:34,294 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2 2025-08-31T10:09:34,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o 2025-08-31T10:09:34,297 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o 2025-08-31T10:09:34,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne 2025-08-31T10:09:34,301 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne 2025-08-31T10:09:34,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17 2025-08-31T10:09:34,304 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17 2025-08-31T10:09:34,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13 2025-08-31T10:09:34,308 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13 2025-08-31T10:09:34,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4 2025-08-31T10:09:34,311 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4 2025-08-31T10:09:34,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH 2025-08-31T10:09:34,315 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH 2025-08-31T10:09:34,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12 2025-08-31T10:09:34,318 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12 2025-08-31T10:09:34,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58 2025-08-31T10:09:34,322 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58 2025-08-31T10:09:34,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1 2025-08-31T10:09:34,325 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1 2025-08-31T10:09:34,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3 2025-08-31T10:09:34,329 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3 2025-08-31T10:09:34,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts 2025-08-31T10:09:34,332 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts 2025-08-31T10:09:34,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25 2025-08-31T10:09:34,336 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25 2025-08-31T10:09:34,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+ 2025-08-31T10:09:34,339 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+ 2025-08-31T10:09:34,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4 2025-08-31T10:09:34,342 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4 2025-08-31T10:09:34,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4 2025-08-31T10:09:34,346 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4 2025-08-31T10:09:34,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs 2025-08-31T10:09:34,349 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs 2025-08-31T10:09:34,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn 2025-08-31T10:09:34,353 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn 2025-08-31T10:09:34,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B 2025-08-31T10:09:34,356 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B 2025-08-31T10:09:34,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25 2025-08-31T10:09:34,360 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25 2025-08-31T10:09:34,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6 2025-08-31T10:09:34,364 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6 2025-08-31T10:09:34,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25 2025-08-31T10:09:34,367 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25 2025-08-31T10:09:34,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4 2025-08-31T10:09:34,371 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4 2025-08-31T10:09:34,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B 2025-08-31T10:09:34,374 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B 2025-08-31T10:09:34,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe 2025-08-31T10:09:34,378 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe 2025-08-31T10:09:34,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao 2025-08-31T10:09:34,381 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao 2025-08-31T10:09:34,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp 2025-08-31T10:09:34,384 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp 2025-08-31T10:09:34,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1 2025-08-31T10:09:34,388 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1 2025-08-31T10:09:34,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20 2025-08-31T10:09:34,391 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20 2025-08-31T10:09:34,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p 2025-08-31T10:09:34,395 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p 2025-08-31T10:09:34,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg 2025-08-31T10:09:34,398 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg 2025-08-31T10:09:34,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14 2025-08-31T10:09:34,402 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14 2025-08-31T10:09:34,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2 2025-08-31T10:09:34,405 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2 2025-08-31T10:09:34,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24 2025-08-31T10:09:34,409 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24 2025-08-31T10:09:34,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n 2025-08-31T10:09:34,413 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n 2025-08-31T10:09:34,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s 2025-08-31T10:09:34,417 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s 2025-08-31T10:09:34,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl 2025-08-31T10:09:34,420 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl 2025-08-31T10:09:34,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45 2025-08-31T10:09:34,423 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45 2025-08-31T10:09:34,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl 2025-08-31T10:09:34,427 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl 2025-08-31T10:09:34,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78 2025-08-31T10:09:34,430 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78 2025-08-31T10:09:34,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b 2025-08-31T10:09:34,434 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b 2025-08-31T10:09:34,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B 2025-08-31T10:09:34,437 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B 2025-08-31T10:09:34,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl 2025-08-31T10:09:34,440 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl 2025-08-31T10:09:34,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10 2025-08-31T10:09:34,444 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10 2025-08-31T10:09:34,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n 2025-08-31T10:09:34,448 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n 2025-08-31T10:09:34,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2 2025-08-31T10:09:34,452 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2 2025-08-31T10:09:34,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20 2025-08-31T10:09:34,456 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20 2025-08-31T10:09:34,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5 2025-08-31T10:09:34,460 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5 2025-08-31T10:09:34,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43 2025-08-31T10:09:34,463 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43 2025-08-31T10:09:34,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h 2025-08-31T10:09:34,466 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h 2025-08-31T10:09:34,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3 2025-08-31T10:09:34,470 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3 2025-08-31T10:09:34,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A 2025-08-31T10:09:34,473 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A 2025-08-31T10:09:34,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s- 2025-08-31T10:09:34,476 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s- 2025-08-31T10:09:34,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca 2025-08-31T10:09:34,479 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca 2025-08-31T10:09:34,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02 2025-08-31T10:09:34,483 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02 2025-08-31T10:09:34,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+ 2025-08-31T10:09:34,486 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+ 2025-08-31T10:09:34,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl 2025-08-31T10:09:34,490 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl 2025-08-31T10:09:34,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A 2025-08-31T10:09:34,493 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A 2025-08-31T10:09:34,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si 2025-08-31T10:09:34,497 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si 2025-08-31T10:09:34,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A 2025-08-31T10:09:34,502 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A 2025-08-31T10:09:34,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A 2025-08-31T10:09:34,506 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A 2025-08-31T10:09:34,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots 2025-08-31T10:09:34,509 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots 2025-08-31T10:09:34,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n 2025-08-31T10:09:34,513 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n 2025-08-31T10:09:34,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A 2025-08-31T10:09:34,516 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A 2025-08-31T10:09:34,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n 2025-08-31T10:09:34,519 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n 2025-08-31T10:09:34,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi 2025-08-31T10:09:34,523 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi 2025-08-31T10:09:34,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O 2025-08-31T10:09:34,526 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O 2025-08-31T10:09:34,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2 2025-08-31T10:09:34,530 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2 2025-08-31T10:09:34,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne 2025-08-31T10:09:34,533 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne 2025-08-31T10:09:34,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn 2025-08-31T10:09:34,537 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn 2025-08-31T10:09:34,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2 2025-08-31T10:09:34,540 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2 2025-08-31T10:09:34,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B 2025-08-31T10:09:34,543 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B 2025-08-31T10:09:34,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B 2025-08-31T10:09:34,547 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B 2025-08-31T10:09:34,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p 2025-08-31T10:09:34,550 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p 2025-08-31T10:09:34,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39 2025-08-31T10:09:34,554 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39 2025-08-31T10:09:34,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f 2025-08-31T10:09:34,557 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f 2025-08-31T10:09:34,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo 2025-08-31T10:09:34,561 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo 2025-08-31T10:09:34,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm 2025-08-31T10:09:34,564 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm 2025-08-31T10:09:34,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS 2025-08-31T10:09:34,568 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS 2025-08-31T10:09:34,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo 2025-08-31T10:09:34,572 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo 2025-08-31T10:09:34,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s 2025-08-31T10:09:34,575 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s 2025-08-31T10:09:34,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp 2025-08-31T10:09:34,579 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp 2025-08-31T10:09:34,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+ 2025-08-31T10:09:34,582 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+ 2025-08-31T10:09:34,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48 2025-08-31T10:09:34,586 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48 2025-08-31T10:09:34,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh 2025-08-31T10:09:34,589 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh 2025-08-31T10:09:34,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl 2025-08-31T10:09:34,593 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl 2025-08-31T10:09:34,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl 2025-08-31T10:09:34,596 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl 2025-08-31T10:09:34,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O 2025-08-31T10:09:34,599 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O 2025-08-31T10:09:34,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A 2025-08-31T10:09:34,603 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A 2025-08-31T10:09:34,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21 2025-08-31T10:09:34,607 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21 2025-08-31T10:09:34,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B 2025-08-31T10:09:34,610 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B 2025-08-31T10:09:34,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2 2025-08-31T10:09:34,614 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2 2025-08-31T10:09:34,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+ 2025-08-31T10:09:34,618 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+ 2025-08-31T10:09:34,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel 2025-08-31T10:09:34,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43 2025-08-31T10:09:34,623 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43 2025-08-31T10:09:34,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0 2025-08-31T10:09:34,627 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0 2025-08-31T10:09:34,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3 2025-08-31T10:09:34,631 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3 2025-08-31T10:09:34,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42 2025-08-31T10:09:34,635 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42 2025-08-31T10:09:34,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2 2025-08-31T10:09:34,638 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2 2025-08-31T10:09:34,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72 2025-08-31T10:09:34,642 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72 2025-08-31T10:09:34,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4 2025-08-31T10:09:34,645 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4 2025-08-31T10:09:34,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72 2025-08-31T10:09:34,649 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72 2025-08-31T10:09:34,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1 2025-08-31T10:09:34,652 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1 2025-08-31T10:09:34,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71 2025-08-31T10:09:34,656 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71 2025-08-31T10:09:34,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41 2025-08-31T10:09:34,660 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41 2025-08-31T10:09:34,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2 2025-08-31T10:09:34,663 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2 2025-08-31T10:09:34,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1 2025-08-31T10:09:34,667 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1 2025-08-31T10:09:34,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3 2025-08-31T10:09:34,671 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3 2025-08-31T10:09:34,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2 2025-08-31T10:09:34,675 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2 2025-08-31T10:09:34,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3 2025-08-31T10:09:34,679 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3 2025-08-31T10:09:34,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42 2025-08-31T10:09:34,682 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42 2025-08-31T10:09:34,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0 2025-08-31T10:09:34,686 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0 2025-08-31T10:09:34,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41 2025-08-31T10:09:34,689 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41 2025-08-31T10:09:34,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2 2025-08-31T10:09:34,693 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2 2025-08-31T10:09:34,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42 2025-08-31T10:09:34,697 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42 2025-08-31T10:09:34,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0 2025-08-31T10:09:34,700 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0 2025-08-31T10:09:34,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3 2025-08-31T10:09:34,704 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3 2025-08-31T10:09:34,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1 2025-08-31T10:09:34,708 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1 2025-08-31T10:09:34,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71 2025-08-31T10:09:34,711 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71 2025-08-31T10:09:34,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2 2025-08-31T10:09:34,715 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2 2025-08-31T10:09:34,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1 2025-08-31T10:09:34,719 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1 2025-08-31T10:09:34,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0 2025-08-31T10:09:34,722 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0 2025-08-31T10:09:34,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41 2025-08-31T10:09:34,726 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41 2025-08-31T10:09:34,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0 2025-08-31T10:09:34,729 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0 2025-08-31T10:09:34,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2 2025-08-31T10:09:34,732 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2 2025-08-31T10:09:34,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP 2025-08-31T10:09:34,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22 2025-08-31T10:09:34,738 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22 2025-08-31T10:09:34,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f 2025-08-31T10:09:34,741 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f 2025-08-31T10:09:34,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1 2025-08-31T10:09:34,745 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1 2025-08-31T10:09:34,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2 2025-08-31T10:09:34,748 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2 2025-08-31T10:09:34,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2 2025-08-31T10:09:34,752 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2 2025-08-31T10:09:34,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f 2025-08-31T10:09:34,755 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f 2025-08-31T10:09:34,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l 2025-08-31T10:09:34,759 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l 2025-08-31T10:09:34,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant 2025-08-31T10:09:34,763 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant 2025-08-31T10:09:34,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene 2025-08-31T10:09:34,766 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene 2025-08-31T10:09:34,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer 2025-08-31T10:09:34,770 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer 2025-08-31T10:09:34,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l 2025-08-31T10:09:34,773 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l 2025-08-31T10:09:34,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1 2025-08-31T10:09:34,777 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1 2025-08-31T10:09:34,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2 2025-08-31T10:09:34,780 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2 2025-08-31T10:09:34,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24 2025-08-31T10:09:34,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole 2025-08-31T10:09:34,786 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole 2025-08-31T10:09:34,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS 2025-08-31T10:09:34,790 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS 2025-08-31T10:09:34,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S 2025-08-31T10:09:34,793 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S 2025-08-31T10:09:34,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2025-08-31T10:09:34,797 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2025-08-31T10:09:34,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene 2025-08-31T10:09:34,800 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene 2025-08-31T10:09:34,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS 2025-08-31T10:09:34,804 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS 2025-08-31T10:09:34,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS 2025-08-31T10:09:34,808 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS 2025-08-31T10:09:34,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene 2025-08-31T10:09:34,811 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene 2025-08-31T10:09:34,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2 2025-08-31T10:09:34,815 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2 2025-08-31T10:09:34,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene 2025-08-31T10:09:34,818 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene 2025-08-31T10:09:34,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene 2025-08-31T10:09:34,821 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene 2025-08-31T10:09:34,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS 2025-08-31T10:09:34,825 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS 2025-08-31T10:09:34,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine 2025-08-31T10:09:34,828 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine 2025-08-31T10:09:34,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS 2025-08-31T10:09:34,832 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS 2025-08-31T10:09:34,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS 2025-08-31T10:09:34,835 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS 2025-08-31T10:09:34,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS 2025-08-31T10:09:34,839 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS 2025-08-31T10:09:34,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS 2025-08-31T10:09:34,842 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS 2025-08-31T10:09:34,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS 2025-08-31T10:09:34,845 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS 2025-08-31T10:09:34,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS 2025-08-31T10:09:34,849 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS 2025-08-31T10:09:34,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS 2025-08-31T10:09:34,853 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS 2025-08-31T10:09:34,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS 2025-08-31T10:09:34,856 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS 2025-08-31T10:09:34,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene 2025-08-31T10:09:34,859 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene 2025-08-31T10:09:34,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether 2025-08-31T10:09:34,863 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether 2025-08-31T10:09:34,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene 2025-08-31T10:09:34,866 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene 2025-08-31T10:09:34,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph 2025-08-31T10:09:34,870 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph 2025-08-31T10:09:34,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS 2025-08-31T10:09:34,873 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS 2025-08-31T10:09:34,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3 2025-08-31T10:09:34,876 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3 2025-08-31T10:09:34,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene 2025-08-31T10:09:34,880 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene 2025-08-31T10:09:34,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS 2025-08-31T10:09:34,884 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS 2025-08-31T10:09:34,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3 2025-08-31T10:09:34,887 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3 2025-08-31T10:09:34,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene 2025-08-31T10:09:34,891 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene 2025-08-31T10:09:34,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS 2025-08-31T10:09:34,894 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS 2025-08-31T10:09:34,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS 2025-08-31T10:09:34,898 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS 2025-08-31T10:09:34,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene 2025-08-31T10:09:34,901 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene 2025-08-31T10:09:34,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene 2025-08-31T10:09:34,905 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene 2025-08-31T10:09:34,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS 2025-08-31T10:09:34,908 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS 2025-08-31T10:09:34,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether 2025-08-31T10:09:34,912 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether 2025-08-31T10:09:34,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3 2025-08-31T10:09:34,915 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3 2025-08-31T10:09:34,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS 2025-08-31T10:09:34,918 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS 2025-08-31T10:09:34,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3 2025-08-31T10:09:34,922 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3 2025-08-31T10:09:34,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS 2025-08-31T10:09:34,925 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS 2025-08-31T10:09:34,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3 2025-08-31T10:09:34,929 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3 2025-08-31T10:09:34,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene 2025-08-31T10:09:34,932 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene 2025-08-31T10:09:34,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS 2025-08-31T10:09:34,936 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS 2025-08-31T10:09:34,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS 2025-08-31T10:09:34,939 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS 2025-08-31T10:09:34,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O 2025-08-31T10:09:34,942 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O 2025-08-31T10:09:34,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS 2025-08-31T10:09:34,946 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS 2025-08-31T10:09:34,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS 2025-08-31T10:09:34,949 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS 2025-08-31T10:09:34,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF 2025-08-31T10:09:34,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+ 2025-08-31T10:09:34,955 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+ 2025-08-31T10:09:34,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt 2025-08-31T10:09:34,958 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt 2025-08-31T10:09:34,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G 2025-08-31T10:09:34,961 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G 2025-08-31T10:09:34,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT 2025-08-31T10:09:34,965 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT 2025-08-31T10:09:34,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g- 2025-08-31T10:09:34,968 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g- 2025-08-31T10:09:34,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX 2025-08-31T10:09:34,972 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX 2025-08-31T10:09:34,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg 2025-08-31T10:09:34,975 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg 2025-08-31T10:09:34,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG 2025-08-31T10:09:34,979 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG 2025-08-31T10:09:34,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+ 2025-08-31T10:09:34,982 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+ 2025-08-31T10:09:34,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt 2025-08-31T10:09:34,986 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt 2025-08-31T10:09:34,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt 2025-08-31T10:09:34,990 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt 2025-08-31T10:09:34,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T 2025-08-31T10:09:34,993 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T 2025-08-31T10:09:34,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG 2025-08-31T10:09:34,996 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG 2025-08-31T10:09:34,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g- 2025-08-31T10:09:35,000 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g- 2025-08-31T10:09:35,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg 2025-08-31T10:09:35,003 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg 2025-08-31T10:09:35,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x- 2025-08-31T10:09:35,007 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x- 2025-08-31T10:09:35,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg 2025-08-31T10:09:35,010 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg 2025-08-31T10:09:35,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g- 2025-08-31T10:09:35,013 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g- 2025-08-31T10:09:35,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF 2025-08-31T10:09:35,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23 2025-08-31T10:09:35,019 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23 2025-08-31T10:09:35,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4 2025-08-31T10:09:35,022 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4 2025-08-31T10:09:35,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8 2025-08-31T10:09:35,026 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8 2025-08-31T10:09:35,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30 2025-08-31T10:09:35,029 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30 2025-08-31T10:09:35,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3 2025-08-31T10:09:35,033 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3 2025-08-31T10:09:35,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29 2025-08-31T10:09:35,036 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29 2025-08-31T10:09:35,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42 2025-08-31T10:09:35,040 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42 2025-08-31T10:09:35,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10 2025-08-31T10:09:35,044 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10 2025-08-31T10:09:35,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34 2025-08-31T10:09:35,047 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34 2025-08-31T10:09:35,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22 2025-08-31T10:09:35,051 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22 2025-08-31T10:09:35,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18 2025-08-31T10:09:35,054 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18 2025-08-31T10:09:35,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16 2025-08-31T10:09:35,058 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16 2025-08-31T10:09:35,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7 2025-08-31T10:09:35,061 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7 2025-08-31T10:09:35,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52 2025-08-31T10:09:35,065 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52 2025-08-31T10:09:35,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37 2025-08-31T10:09:35,068 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37 2025-08-31T10:09:35,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40 2025-08-31T10:09:35,072 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40 2025-08-31T10:09:35,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28 2025-08-31T10:09:35,075 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28 2025-08-31T10:09:35,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36 2025-08-31T10:09:35,079 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36 2025-08-31T10:09:35,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47 2025-08-31T10:09:35,082 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47 2025-08-31T10:09:35,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21 2025-08-31T10:09:35,086 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21 2025-08-31T10:09:35,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13 2025-08-31T10:09:35,089 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13 2025-08-31T10:09:35,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25 2025-08-31T10:09:35,092 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25 2025-08-31T10:09:35,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32 2025-08-31T10:09:35,096 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32 2025-08-31T10:09:35,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6 2025-08-31T10:09:35,100 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6 2025-08-31T10:09:35,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41 2025-08-31T10:09:35,103 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41 2025-08-31T10:09:35,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14 2025-08-31T10:09:35,107 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14 2025-08-31T10:09:35,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1 2025-08-31T10:09:35,110 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1 2025-08-31T10:09:35,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15 2025-08-31T10:09:35,114 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15 2025-08-31T10:09:35,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38 2025-08-31T10:09:35,118 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38 2025-08-31T10:09:35,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24 2025-08-31T10:09:35,121 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24 2025-08-31T10:09:35,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19 2025-08-31T10:09:35,124 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19 2025-08-31T10:09:35,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31 2025-08-31T10:09:35,128 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31 2025-08-31T10:09:35,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45 2025-08-31T10:09:35,131 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45 2025-08-31T10:09:35,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50 2025-08-31T10:09:35,135 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50 2025-08-31T10:09:35,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26 2025-08-31T10:09:35,139 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26 2025-08-31T10:09:35,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46 2025-08-31T10:09:35,142 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46 2025-08-31T10:09:35,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2 2025-08-31T10:09:35,146 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2 2025-08-31T10:09:35,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20 2025-08-31T10:09:35,150 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20 2025-08-31T10:09:35,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5 2025-08-31T10:09:35,153 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5 2025-08-31T10:09:35,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43 2025-08-31T10:09:35,156 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43 2025-08-31T10:09:35,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44 2025-08-31T10:09:35,160 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44 2025-08-31T10:09:35,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33 2025-08-31T10:09:35,163 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33 2025-08-31T10:09:35,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12 2025-08-31T10:09:35,167 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12 2025-08-31T10:09:35,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17 2025-08-31T10:09:35,170 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17 2025-08-31T10:09:35,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35 2025-08-31T10:09:35,174 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35 2025-08-31T10:09:35,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51 2025-08-31T10:09:35,178 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51 2025-08-31T10:09:35,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9 2025-08-31T10:09:35,181 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9 2025-08-31T10:09:35,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39 2025-08-31T10:09:35,185 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39 2025-08-31T10:09:35,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49 2025-08-31T10:09:35,188 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49 2025-08-31T10:09:35,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48 2025-08-31T10:09:35,192 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48 2025-08-31T10:09:35,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11 2025-08-31T10:09:35,196 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11 2025-08-31T10:09:35,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27 2025-08-31T10:09:35,200 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27 2025-08-31T10:09:35,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12 2025-08-31T10:09:35,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O 2025-08-31T10:09:35,207 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O 2025-08-31T10:09:35,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL 2025-08-31T10:09:35,210 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL 2025-08-31T10:09:35,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A 2025-08-31T10:09:35,213 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A 2025-08-31T10:09:35,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B 2025-08-31T10:09:35,216 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B 2025-08-31T10:09:35,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B 2025-08-31T10:09:35,220 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B 2025-08-31T10:09:35,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A 2025-08-31T10:09:35,223 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A 2025-08-31T10:09:35,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A 2025-08-31T10:09:35,227 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A 2025-08-31T10:09:35,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B 2025-08-31T10:09:35,230 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B 2025-08-31T10:09:35,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL 2025-08-31T10:09:35,233 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL 2025-08-31T10:09:35,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A 2025-08-31T10:09:35,237 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A 2025-08-31T10:09:35,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N 2025-08-31T10:09:35,240 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N 2025-08-31T10:09:35,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL 2025-08-31T10:09:35,243 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL 2025-08-31T10:09:35,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL 2025-08-31T10:09:35,246 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL 2025-08-31T10:09:35,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A 2025-08-31T10:09:35,250 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A 2025-08-31T10:09:35,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A 2025-08-31T10:09:35,253 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A 2025-08-31T10:09:35,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B 2025-08-31T10:09:35,256 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B 2025-08-31T10:09:35,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B 2025-08-31T10:09:35,260 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B 2025-08-31T10:09:35,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A 2025-08-31T10:09:35,263 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A 2025-08-31T10:09:35,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A 2025-08-31T10:09:35,266 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A 2025-08-31T10:09:35,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B 2025-08-31T10:09:35,270 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B 2025-08-31T10:09:35,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N 2025-08-31T10:09:35,273 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N 2025-08-31T10:09:35,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A 2025-08-31T10:09:35,277 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A 2025-08-31T10:09:35,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B 2025-08-31T10:09:35,280 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B 2025-08-31T10:09:35,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A 2025-08-31T10:09:35,283 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A 2025-08-31T10:09:35,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B 2025-08-31T10:09:35,287 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B 2025-08-31T10:09:35,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A 2025-08-31T10:09:35,290 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A 2025-08-31T10:09:35,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N 2025-08-31T10:09:35,293 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N 2025-08-31T10:09:35,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B 2025-08-31T10:09:35,297 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B 2025-08-31T10:09:35,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A 2025-08-31T10:09:35,300 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A 2025-08-31T10:09:35,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B 2025-08-31T10:09:35,304 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B 2025-08-31T10:09:35,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N 2025-08-31T10:09:35,307 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N 2025-08-31T10:09:35,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O 2025-08-31T10:09:35,310 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O 2025-08-31T10:09:35,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O 2025-08-31T10:09:35,314 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O 2025-08-31T10:09:35,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B 2025-08-31T10:09:35,318 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B 2025-08-31T10:09:35,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O 2025-08-31T10:09:35,321 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O 2025-08-31T10:09:35,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B 2025-08-31T10:09:35,324 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B 2025-08-31T10:09:35,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21 2025-08-31T10:09:35,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A 2025-08-31T10:09:35,330 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A 2025-08-31T10:09:35,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A 2025-08-31T10:09:35,333 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A 2025-08-31T10:09:35,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A 2025-08-31T10:09:35,336 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A 2025-08-31T10:09:35,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4 2025-08-31T10:09:35,340 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4 2025-08-31T10:09:35,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B 2025-08-31T10:09:35,343 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B 2025-08-31T10:09:35,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8 2025-08-31T10:09:35,346 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8 2025-08-31T10:09:35,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A 2025-08-31T10:09:35,349 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A 2025-08-31T10:09:35,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B 2025-08-31T10:09:35,353 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B 2025-08-31T10:09:35,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3 2025-08-31T10:09:35,356 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3 2025-08-31T10:09:35,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B 2025-08-31T10:09:35,359 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B 2025-08-31T10:09:35,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A 2025-08-31T10:09:35,363 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A 2025-08-31T10:09:35,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10 2025-08-31T10:09:35,366 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10 2025-08-31T10:09:35,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A 2025-08-31T10:09:35,369 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A 2025-08-31T10:09:35,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18 2025-08-31T10:09:35,373 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18 2025-08-31T10:09:35,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16 2025-08-31T10:09:35,376 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16 2025-08-31T10:09:35,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7 2025-08-31T10:09:35,380 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7 2025-08-31T10:09:35,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B 2025-08-31T10:09:35,383 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B 2025-08-31T10:09:35,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A 2025-08-31T10:09:35,386 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A 2025-08-31T10:09:35,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B 2025-08-31T10:09:35,390 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B 2025-08-31T10:09:35,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21 2025-08-31T10:09:35,393 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21 2025-08-31T10:09:35,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B 2025-08-31T10:09:35,397 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B 2025-08-31T10:09:35,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13 2025-08-31T10:09:35,400 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13 2025-08-31T10:09:35,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B 2025-08-31T10:09:35,404 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B 2025-08-31T10:09:35,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B 2025-08-31T10:09:35,407 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B 2025-08-31T10:09:35,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6 2025-08-31T10:09:35,410 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6 2025-08-31T10:09:35,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A 2025-08-31T10:09:35,414 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A 2025-08-31T10:09:35,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B 2025-08-31T10:09:35,417 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B 2025-08-31T10:09:35,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14 2025-08-31T10:09:35,420 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14 2025-08-31T10:09:35,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1 2025-08-31T10:09:35,423 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1 2025-08-31T10:09:35,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A 2025-08-31T10:09:35,427 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A 2025-08-31T10:09:35,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15 2025-08-31T10:09:35,430 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15 2025-08-31T10:09:35,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B 2025-08-31T10:09:35,433 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B 2025-08-31T10:09:35,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A 2025-08-31T10:09:35,437 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A 2025-08-31T10:09:35,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19 2025-08-31T10:09:35,440 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19 2025-08-31T10:09:35,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A 2025-08-31T10:09:35,443 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A 2025-08-31T10:09:35,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B 2025-08-31T10:09:35,447 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B 2025-08-31T10:09:35,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B 2025-08-31T10:09:35,450 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B 2025-08-31T10:09:35,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B 2025-08-31T10:09:35,453 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B 2025-08-31T10:09:35,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2 2025-08-31T10:09:35,456 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2 2025-08-31T10:09:35,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20 2025-08-31T10:09:35,460 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20 2025-08-31T10:09:35,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B 2025-08-31T10:09:35,463 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B 2025-08-31T10:09:35,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5 2025-08-31T10:09:35,466 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5 2025-08-31T10:09:35,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A 2025-08-31T10:09:35,470 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A 2025-08-31T10:09:35,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A 2025-08-31T10:09:35,473 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A 2025-08-31T10:09:35,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B 2025-08-31T10:09:35,476 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B 2025-08-31T10:09:35,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A 2025-08-31T10:09:35,480 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A 2025-08-31T10:09:35,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B 2025-08-31T10:09:35,483 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B 2025-08-31T10:09:35,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A 2025-08-31T10:09:35,486 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A 2025-08-31T10:09:35,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B 2025-08-31T10:09:35,490 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B 2025-08-31T10:09:35,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A 2025-08-31T10:09:35,493 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A 2025-08-31T10:09:35,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A 2025-08-31T10:09:35,497 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A 2025-08-31T10:09:35,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12 2025-08-31T10:09:35,500 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12 2025-08-31T10:09:35,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17 2025-08-31T10:09:35,503 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17 2025-08-31T10:09:35,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A 2025-08-31T10:09:35,507 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A 2025-08-31T10:09:35,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B 2025-08-31T10:09:35,510 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B 2025-08-31T10:09:35,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9 2025-08-31T10:09:35,513 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9 2025-08-31T10:09:35,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A 2025-08-31T10:09:35,517 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A 2025-08-31T10:09:35,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B 2025-08-31T10:09:35,520 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B 2025-08-31T10:09:35,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A 2025-08-31T10:09:35,524 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A 2025-08-31T10:09:35,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B 2025-08-31T10:09:35,527 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B 2025-08-31T10:09:35,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A 2025-08-31T10:09:35,530 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A 2025-08-31T10:09:35,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B 2025-08-31T10:09:35,534 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B 2025-08-31T10:09:35,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11 2025-08-31T10:09:35,537 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11 2025-08-31T10:09:35,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11 2025-08-31T10:09:35,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl 2025-08-31T10:09:35,544 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl 2025-08-31T10:09:35,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal 2025-08-31T10:09:35,547 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal 2025-08-31T10:09:35,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn 2025-08-31T10:09:35,551 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn 2025-08-31T10:09:35,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh 2025-08-31T10:09:35,555 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh 2025-08-31T10:09:35,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2 2025-08-31T10:09:35,559 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2 2025-08-31T10:09:35,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4 2025-08-31T10:09:35,562 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4 2025-08-31T10:09:35,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh 2025-08-31T10:09:35,566 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh 2025-08-31T10:09:35,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2 2025-08-31T10:09:35,569 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2 2025-08-31T10:09:35,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2 2025-08-31T10:09:35,572 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2 2025-08-31T10:09:35,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs 2025-08-31T10:09:35,576 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs 2025-08-31T10:09:35,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4 2025-08-31T10:09:35,579 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4 2025-08-31T10:09:35,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh 2025-08-31T10:09:35,582 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh 2025-08-31T10:09:35,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc 2025-08-31T10:09:35,586 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc 2025-08-31T10:09:35,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p 2025-08-31T10:09:35,589 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p 2025-08-31T10:09:35,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o 2025-08-31T10:09:35,592 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o 2025-08-31T10:09:35,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn 2025-08-31T10:09:35,596 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn 2025-08-31T10:09:35,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2 2025-08-31T10:09:35,599 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2 2025-08-31T10:09:35,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh 2025-08-31T10:09:35,602 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh 2025-08-31T10:09:35,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2 2025-08-31T10:09:35,606 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2 2025-08-31T10:09:35,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh 2025-08-31T10:09:35,609 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh 2025-08-31T10:09:35,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf 2025-08-31T10:09:35,612 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf 2025-08-31T10:09:35,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c 2025-08-31T10:09:35,616 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c 2025-08-31T10:09:35,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no 2025-08-31T10:09:35,619 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no 2025-08-31T10:09:35,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o 2025-08-31T10:09:35,622 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o 2025-08-31T10:09:35,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al 2025-08-31T10:09:35,626 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al 2025-08-31T10:09:35,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs 2025-08-31T10:09:35,629 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs 2025-08-31T10:09:35,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3 2025-08-31T10:09:35,632 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3 2025-08-31T10:09:35,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn 2025-08-31T10:09:35,636 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn 2025-08-31T10:09:35,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c 2025-08-31T10:09:35,639 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c 2025-08-31T10:09:35,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc 2025-08-31T10:09:35,642 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc 2025-08-31T10:09:35,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be 2025-08-31T10:09:35,646 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be 2025-08-31T10:09:35,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o 2025-08-31T10:09:35,649 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o 2025-08-31T10:09:35,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf 2025-08-31T10:09:35,652 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf 2025-08-31T10:09:35,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6 2025-08-31T10:09:35,656 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6 2025-08-31T10:09:35,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n 2025-08-31T10:09:35,659 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n 2025-08-31T10:09:35,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono 2025-08-31T10:09:35,662 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono 2025-08-31T10:09:35,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif 2025-08-31T10:09:35,666 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif 2025-08-31T10:09:35,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4 2025-08-31T10:09:35,669 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4 2025-08-31T10:09:35,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch 2025-08-31T10:09:35,672 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch 2025-08-31T10:09:35,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde 2025-08-31T10:09:35,675 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde 2025-08-31T10:09:35,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o 2025-08-31T10:09:35,679 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o 2025-08-31T10:09:35,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene 2025-08-31T10:09:35,682 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene 2025-08-31T10:09:35,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2 2025-08-31T10:09:35,686 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2 2025-08-31T10:09:35,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2 2025-08-31T10:09:35,689 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2 2025-08-31T10:09:35,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3 2025-08-31T10:09:35,692 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3 2025-08-31T10:09:35,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s 2025-08-31T10:09:35,696 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s 2025-08-31T10:09:35,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco 2025-08-31T10:09:35,699 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco 2025-08-31T10:09:35,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane 2025-08-31T10:09:35,702 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane 2025-08-31T10:09:35,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2 2025-08-31T10:09:35,706 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2 2025-08-31T10:09:35,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf 2025-08-31T10:09:35,709 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf 2025-08-31T10:09:35,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo 2025-08-31T10:09:35,712 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo 2025-08-31T10:09:35,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4 2025-08-31T10:09:35,715 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4 2025-08-31T10:09:35,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2 2025-08-31T10:09:35,719 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2 2025-08-31T10:09:35,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf 2025-08-31T10:09:35,722 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf 2025-08-31T10:09:35,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2 2025-08-31T10:09:35,725 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2 2025-08-31T10:09:35,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof 2025-08-31T10:09:35,728 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof 2025-08-31T10:09:35,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4 2025-08-31T10:09:35,732 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4 2025-08-31T10:09:35,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f 2025-08-31T10:09:35,735 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f 2025-08-31T10:09:35,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3 2025-08-31T10:09:35,739 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3 2025-08-31T10:09:35,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f 2025-08-31T10:09:35,742 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f 2025-08-31T10:09:35,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic 2025-08-31T10:09:35,745 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic 2025-08-31T10:09:35,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo 2025-08-31T10:09:35,748 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo 2025-08-31T10:09:35,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene 2025-08-31T10:09:35,751 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene 2025-08-31T10:09:35,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh 2025-08-31T10:09:35,755 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh 2025-08-31T10:09:35,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2 2025-08-31T10:09:35,758 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2 2025-08-31T10:09:35,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2 2025-08-31T10:09:35,761 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2 2025-08-31T10:09:35,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol 2025-08-31T10:09:35,764 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol 2025-08-31T10:09:35,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn 2025-08-31T10:09:35,768 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn 2025-08-31T10:09:35,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2 2025-08-31T10:09:35,771 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2 2025-08-31T10:09:35,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof 2025-08-31T10:09:35,774 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof 2025-08-31T10:09:35,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2 2025-08-31T10:09:35,778 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2 2025-08-31T10:09:35,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o 2025-08-31T10:09:35,781 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o 2025-08-31T10:09:35,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f 2025-08-31T10:09:35,784 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f 2025-08-31T10:09:35,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4 2025-08-31T10:09:35,787 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4 2025-08-31T10:09:35,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3 2025-08-31T10:09:35,791 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3 2025-08-31T10:09:35,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2 2025-08-31T10:09:35,794 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2 2025-08-31T10:09:35,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3 2025-08-31T10:09:35,797 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3 2025-08-31T10:09:35,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4 2025-08-31T10:09:35,801 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4 2025-08-31T10:09:35,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi 2025-08-31T10:09:35,804 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi 2025-08-31T10:09:35,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn 2025-08-31T10:09:35,808 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn 2025-08-31T10:09:35,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3 2025-08-31T10:09:35,811 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3 2025-08-31T10:09:35,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn 2025-08-31T10:09:35,815 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn 2025-08-31T10:09:35,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing 2025-08-31T10:09:35,818 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing 2025-08-31T10:09:35,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2 2025-08-31T10:09:35,822 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2 2025-08-31T10:09:35,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3 2025-08-31T10:09:35,825 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3 2025-08-31T10:09:35,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6 2025-08-31T10:09:35,829 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6 2025-08-31T10:09:35,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane 2025-08-31T10:09:35,832 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane 2025-08-31T10:09:35,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2 2025-08-31T10:09:35,836 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2 2025-08-31T10:09:35,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo 2025-08-31T10:09:35,839 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo 2025-08-31T10:09:35,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip 2025-08-31T10:09:35,842 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip 2025-08-31T10:09:35,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn 2025-08-31T10:09:35,846 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn 2025-08-31T10:09:35,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2 2025-08-31T10:09:35,849 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2 2025-08-31T10:09:35,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so 2025-08-31T10:09:35,853 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so 2025-08-31T10:09:35,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co 2025-08-31T10:09:35,857 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co 2025-08-31T10:09:35,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2 2025-08-31T10:09:35,860 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2 2025-08-31T10:09:35,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2 2025-08-31T10:09:35,864 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2 2025-08-31T10:09:35,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s 2025-08-31T10:09:35,868 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s 2025-08-31T10:09:35,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno 2025-08-31T10:09:35,871 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno 2025-08-31T10:09:35,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch 2025-08-31T10:09:35,874 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch 2025-08-31T10:09:35,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol 2025-08-31T10:09:35,878 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol 2025-08-31T10:09:35,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of 2025-08-31T10:09:35,881 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of 2025-08-31T10:09:35,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2 2025-08-31T10:09:35,884 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2 2025-08-31T10:09:35,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl 2025-08-31T10:09:35,888 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl 2025-08-31T10:09:35,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b 2025-08-31T10:09:35,891 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b 2025-08-31T10:09:35,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene 2025-08-31T10:09:35,895 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene 2025-08-31T10:09:35,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh 2025-08-31T10:09:35,899 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh 2025-08-31T10:09:35,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo 2025-08-31T10:09:35,903 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo 2025-08-31T10:09:35,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl 2025-08-31T10:09:35,907 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl 2025-08-31T10:09:35,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno 2025-08-31T10:09:35,911 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno 2025-08-31T10:09:35,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h 2025-08-31T10:09:35,915 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h 2025-08-31T10:09:35,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco 2025-08-31T10:09:35,919 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco 2025-08-31T10:09:35,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch 2025-08-31T10:09:35,923 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch 2025-08-31T10:09:35,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic 2025-08-31T10:09:35,927 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic 2025-08-31T10:09:35,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf 2025-08-31T10:09:35,931 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf 2025-08-31T10:09:35,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2 2025-08-31T10:09:35,935 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2 2025-08-31T10:09:35,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh 2025-08-31T10:09:35,939 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh 2025-08-31T10:09:35,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof 2025-08-31T10:09:35,943 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof 2025-08-31T10:09:35,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f 2025-08-31T10:09:35,947 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f 2025-08-31T10:09:35,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf 2025-08-31T10:09:35,951 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf 2025-08-31T10:09:35,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o 2025-08-31T10:09:35,955 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o 2025-08-31T10:09:35,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si 2025-08-31T10:09:35,960 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si 2025-08-31T10:09:35,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co 2025-08-31T10:09:35,964 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co 2025-08-31T10:09:35,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs 2025-08-31T10:09:35,968 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs 2025-08-31T10:09:35,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf 2025-08-31T10:09:35,971 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf 2025-08-31T10:09:35,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2 2025-08-31T10:09:35,975 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2 2025-08-31T10:09:35,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio 2025-08-31T10:09:35,979 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio 2025-08-31T10:09:35,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3 2025-08-31T10:09:35,983 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3 2025-08-31T10:09:35,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2 2025-08-31T10:09:35,987 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2 2025-08-31T10:09:35,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl 2025-08-31T10:09:35,991 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl 2025-08-31T10:09:35,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h 2025-08-31T10:09:35,995 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h 2025-08-31T10:09:35,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6 2025-08-31T10:09:35,999 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6 2025-08-31T10:09:36,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn 2025-08-31T10:09:36,002 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn 2025-08-31T10:09:36,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih 2025-08-31T10:09:36,006 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih 2025-08-31T10:09:36,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3 2025-08-31T10:09:36,010 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3 2025-08-31T10:09:36,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh 2025-08-31T10:09:36,014 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh 2025-08-31T10:09:36,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene 2025-08-31T10:09:36,018 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene 2025-08-31T10:09:36,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3 2025-08-31T10:09:36,022 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3 2025-08-31T10:09:36,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co 2025-08-31T10:09:36,027 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co 2025-08-31T10:09:36,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f 2025-08-31T10:09:36,034 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f 2025-08-31T10:09:36,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane 2025-08-31T10:09:36,038 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane 2025-08-31T10:09:36,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo 2025-08-31T10:09:36,042 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo 2025-08-31T10:09:36,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3 2025-08-31T10:09:36,045 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3 2025-08-31T10:09:36,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh 2025-08-31T10:09:36,049 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh 2025-08-31T10:09:36,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne 2025-08-31T10:09:36,053 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne 2025-08-31T10:09:36,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo 2025-08-31T10:09:36,057 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo 2025-08-31T10:09:36,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2 2025-08-31T10:09:36,061 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2 2025-08-31T10:09:36,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2 2025-08-31T10:09:36,065 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2 2025-08-31T10:09:36,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v 2025-08-31T10:09:36,069 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v 2025-08-31T10:09:36,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh 2025-08-31T10:09:36,073 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh 2025-08-31T10:09:36,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl 2025-08-31T10:09:36,077 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl 2025-08-31T10:09:36,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono 2025-08-31T10:09:36,083 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono 2025-08-31T10:09:36,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2 2025-08-31T10:09:36,087 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2 2025-08-31T10:09:36,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16 2025-08-31T10:09:36,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B 2025-08-31T10:09:36,093 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B 2025-08-31T10:09:36,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227 2025-08-31T10:09:36,097 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227 2025-08-31T10:09:36,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147 2025-08-31T10:09:36,101 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147 2025-08-31T10:09:36,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B 2025-08-31T10:09:36,105 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B 2025-08-31T10:09:36,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A 2025-08-31T10:09:36,109 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A 2025-08-31T10:09:36,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150 2025-08-31T10:09:36,113 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150 2025-08-31T10:09:36,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B 2025-08-31T10:09:36,117 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B 2025-08-31T10:09:36,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A 2025-08-31T10:09:36,121 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A 2025-08-31T10:09:36,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B 2025-08-31T10:09:36,125 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B 2025-08-31T10:09:36,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A 2025-08-31T10:09:36,129 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A 2025-08-31T10:09:36,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A 2025-08-31T10:09:36,133 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A 2025-08-31T10:09:36,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B 2025-08-31T10:09:36,137 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B 2025-08-31T10:09:36,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A 2025-08-31T10:09:36,141 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A 2025-08-31T10:09:36,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B 2025-08-31T10:09:36,146 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B 2025-08-31T10:09:36,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187 2025-08-31T10:09:36,150 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187 2025-08-31T10:09:36,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229 2025-08-31T10:09:36,154 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229 2025-08-31T10:09:36,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A 2025-08-31T10:09:36,158 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A 2025-08-31T10:09:36,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B 2025-08-31T10:09:36,162 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B 2025-08-31T10:09:36,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152 2025-08-31T10:09:36,166 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152 2025-08-31T10:09:36,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148 2025-08-31T10:09:36,170 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148 2025-08-31T10:09:36,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A 2025-08-31T10:09:36,174 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A 2025-08-31T10:09:36,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B 2025-08-31T10:09:36,178 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B 2025-08-31T10:09:36,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212 2025-08-31T10:09:36,182 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212 2025-08-31T10:09:36,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B 2025-08-31T10:09:36,187 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B 2025-08-31T10:09:36,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B 2025-08-31T10:09:36,191 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B 2025-08-31T10:09:36,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A 2025-08-31T10:09:36,195 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A 2025-08-31T10:09:36,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228 2025-08-31T10:09:36,199 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228 2025-08-31T10:09:36,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144 2025-08-31T10:09:36,203 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144 2025-08-31T10:09:36,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A 2025-08-31T10:09:36,207 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A 2025-08-31T10:09:36,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B 2025-08-31T10:09:36,211 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B 2025-08-31T10:09:36,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A 2025-08-31T10:09:36,215 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A 2025-08-31T10:09:36,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231 2025-08-31T10:09:36,219 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231 2025-08-31T10:09:36,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A 2025-08-31T10:09:36,223 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A 2025-08-31T10:09:36,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A 2025-08-31T10:09:36,227 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A 2025-08-31T10:09:36,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008 2025-08-31T10:09:36,231 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008 2025-08-31T10:09:36,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B 2025-08-31T10:09:36,235 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B 2025-08-31T10:09:36,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B 2025-08-31T10:09:36,239 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B 2025-08-31T10:09:36,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A 2025-08-31T10:09:36,243 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A 2025-08-31T10:09:36,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230 2025-08-31T10:09:36,247 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230 2025-08-31T10:09:36,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A 2025-08-31T10:09:36,251 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A 2025-08-31T10:09:36,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A 2025-08-31T10:09:36,255 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A 2025-08-31T10:09:36,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A 2025-08-31T10:09:36,259 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A 2025-08-31T10:09:36,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B 2025-08-31T10:09:36,263 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B 2025-08-31T10:09:36,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B 2025-08-31T10:09:36,267 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B 2025-08-31T10:09:36,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202 2025-08-31T10:09:36,271 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202 2025-08-31T10:09:36,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213 2025-08-31T10:09:36,274 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213 2025-08-31T10:09:36,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214 2025-08-31T10:09:36,278 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214 2025-08-31T10:09:36,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B 2025-08-31T10:09:36,282 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B 2025-08-31T10:09:36,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18 2025-08-31T10:09:36,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3 2025-08-31T10:09:36,288 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3 2025-08-31T10:09:36,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22 2025-08-31T10:09:36,292 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22 2025-08-31T10:09:36,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3 2025-08-31T10:09:36,296 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3 2025-08-31T10:09:36,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22 2025-08-31T10:09:36,300 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22 2025-08-31T10:09:36,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3 2025-08-31T10:09:36,303 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3 2025-08-31T10:09:36,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2 2025-08-31T10:09:36,306 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2 2025-08-31T10:09:36,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2 2025-08-31T10:09:36,310 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2 2025-08-31T10:09:36,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2 2025-08-31T10:09:36,313 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2 2025-08-31T10:09:36,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2 2025-08-31T10:09:36,316 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2 2025-08-31T10:09:36,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22 2025-08-31T10:09:36,320 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22 2025-08-31T10:09:36,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2 2025-08-31T10:09:36,323 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2 2025-08-31T10:09:36,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s 2025-08-31T10:09:36,326 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s 2025-08-31T10:09:36,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22 2025-08-31T10:09:36,330 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22 2025-08-31T10:09:36,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s 2025-08-31T10:09:36,333 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s 2025-08-31T10:09:36,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2 2025-08-31T10:09:36,336 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2 2025-08-31T10:09:36,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22 2025-08-31T10:09:36,340 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22 2025-08-31T10:09:36,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22 2025-08-31T10:09:36,343 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22 2025-08-31T10:09:36,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3 2025-08-31T10:09:36,347 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3 2025-08-31T10:09:36,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22 2025-08-31T10:09:36,350 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22 2025-08-31T10:09:36,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2 2025-08-31T10:09:36,353 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2 2025-08-31T10:09:36,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2 2025-08-31T10:09:36,357 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2 2025-08-31T10:09:36,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s 2025-08-31T10:09:36,360 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s 2025-08-31T10:09:36,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3 2025-08-31T10:09:36,364 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3 2025-08-31T10:09:36,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22 2025-08-31T10:09:36,367 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22 2025-08-31T10:09:36,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22 2025-08-31T10:09:36,371 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22 2025-08-31T10:09:36,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2 2025-08-31T10:09:36,374 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2 2025-08-31T10:09:36,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3 2025-08-31T10:09:36,378 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3 2025-08-31T10:09:36,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2 2025-08-31T10:09:36,381 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2 2025-08-31T10:09:36,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22 2025-08-31T10:09:36,385 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22 2025-08-31T10:09:36,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11 2025-08-31T10:09:36,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3 2025-08-31T10:09:36,390 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3 2025-08-31T10:09:36,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2 2025-08-31T10:09:36,394 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2 2025-08-31T10:09:36,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh 2025-08-31T10:09:36,397 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh 2025-08-31T10:09:36,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2 2025-08-31T10:09:36,401 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2 2025-08-31T10:09:36,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6 2025-08-31T10:09:36,404 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6 2025-08-31T10:09:36,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2 2025-08-31T10:09:36,408 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2 2025-08-31T10:09:36,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4 2025-08-31T10:09:36,411 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4 2025-08-31T10:09:36,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme 2025-08-31T10:09:36,414 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme 2025-08-31T10:09:36,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2 2025-08-31T10:09:36,418 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2 2025-08-31T10:09:36,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2 2025-08-31T10:09:36,421 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2 2025-08-31T10:09:36,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6 2025-08-31T10:09:36,424 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6 2025-08-31T10:09:36,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3 2025-08-31T10:09:36,428 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3 2025-08-31T10:09:36,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br 2025-08-31T10:09:36,431 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br 2025-08-31T10:09:36,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4 2025-08-31T10:09:36,434 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4 2025-08-31T10:09:36,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl 2025-08-31T10:09:36,438 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl 2025-08-31T10:09:36,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4 2025-08-31T10:09:36,441 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4 2025-08-31T10:09:36,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3 2025-08-31T10:09:36,444 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3 2025-08-31T10:09:36,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6 2025-08-31T10:09:36,448 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6 2025-08-31T10:09:36,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2 2025-08-31T10:09:36,451 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2 2025-08-31T10:09:36,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2 2025-08-31T10:09:36,454 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2 2025-08-31T10:09:36,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2 2025-08-31T10:09:36,457 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2 2025-08-31T10:09:36,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh 2025-08-31T10:09:36,461 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh 2025-08-31T10:09:36,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36 2025-08-31T10:09:36,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1 2025-08-31T10:09:36,466 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1 2025-08-31T10:09:36,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14 2025-08-31T10:09:36,470 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14 2025-08-31T10:09:36,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4 2025-08-31T10:09:36,473 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4 2025-08-31T10:09:36,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16 2025-08-31T10:09:36,477 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16 2025-08-31T10:09:36,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11 2025-08-31T10:09:36,480 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11 2025-08-31T10:09:36,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1 2025-08-31T10:09:36,484 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1 2025-08-31T10:09:36,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7 2025-08-31T10:09:36,487 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7 2025-08-31T10:09:36,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9 2025-08-31T10:09:36,490 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9 2025-08-31T10:09:36,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15 2025-08-31T10:09:36,494 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15 2025-08-31T10:09:36,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9 2025-08-31T10:09:36,498 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9 2025-08-31T10:09:36,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3 2025-08-31T10:09:36,501 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3 2025-08-31T10:09:36,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15 2025-08-31T10:09:36,504 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15 2025-08-31T10:09:36,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13 2025-08-31T10:09:36,508 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13 2025-08-31T10:09:36,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4 2025-08-31T10:09:36,511 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4 2025-08-31T10:09:36,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12 2025-08-31T10:09:36,515 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12 2025-08-31T10:09:36,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8 2025-08-31T10:09:36,518 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8 2025-08-31T10:09:36,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6 2025-08-31T10:09:36,522 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6 2025-08-31T10:09:36,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2 2025-08-31T10:09:36,525 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2 2025-08-31T10:09:36,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4 2025-08-31T10:09:36,529 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4 2025-08-31T10:09:36,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1 2025-08-31T10:09:36,532 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1 2025-08-31T10:09:36,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14 2025-08-31T10:09:36,535 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14 2025-08-31T10:09:36,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10 2025-08-31T10:09:36,539 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10 2025-08-31T10:09:36,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3 2025-08-31T10:09:36,542 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3 2025-08-31T10:09:36,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3 2025-08-31T10:09:36,545 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3 2025-08-31T10:09:36,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13 2025-08-31T10:09:36,549 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13 2025-08-31T10:09:36,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4 2025-08-31T10:09:36,552 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4 2025-08-31T10:09:36,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7 2025-08-31T10:09:36,555 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7 2025-08-31T10:09:36,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5 2025-08-31T10:09:36,559 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5 2025-08-31T10:09:36,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5 2025-08-31T10:09:36,562 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5 2025-08-31T10:09:36,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11 2025-08-31T10:09:36,566 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11 2025-08-31T10:09:36,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8 2025-08-31T10:09:36,570 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8 2025-08-31T10:09:36,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6 2025-08-31T10:09:36,574 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6 2025-08-31T10:09:36,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10 2025-08-31T10:09:36,578 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10 2025-08-31T10:09:36,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2 2025-08-31T10:09:36,582 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2 2025-08-31T10:09:36,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5 2025-08-31T10:09:36,586 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5 2025-08-31T10:09:36,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12 2025-08-31T10:09:36,590 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12 2025-08-31T10:09:36,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6 2025-08-31T10:09:36,594 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6 2025-08-31T10:09:36,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2 2025-08-31T10:09:36,598 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2 2025-08-31T10:09:36,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8 2025-08-31T10:09:36,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8 2025-08-31T10:09:36,604 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8 2025-08-31T10:09:36,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h 2025-08-31T10:09:36,609 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h 2025-08-31T10:09:36,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4 2025-08-31T10:09:36,613 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4 2025-08-31T10:09:36,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+ 2025-08-31T10:09:36,617 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+ 2025-08-31T10:09:36,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4 2025-08-31T10:09:36,622 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4 2025-08-31T10:09:36,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2 2025-08-31T10:09:36,625 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2 2025-08-31T10:09:36,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me 2025-08-31T10:09:36,629 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me 2025-08-31T10:09:36,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2 2025-08-31T10:09:36,633 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2 2025-08-31T10:09:36,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+ 2025-08-31T10:09:36,637 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+ 2025-08-31T10:09:36,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2 2025-08-31T10:09:36,641 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2 2025-08-31T10:09:36,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c 2025-08-31T10:09:36,645 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c 2025-08-31T10:09:36,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2 2025-08-31T10:09:36,649 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2 2025-08-31T10:09:36,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch 2025-08-31T10:09:36,653 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch 2025-08-31T10:09:36,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n 2025-08-31T10:09:36,657 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n 2025-08-31T10:09:36,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2 2025-08-31T10:09:36,661 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2 2025-08-31T10:09:36,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me 2025-08-31T10:09:36,665 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me 2025-08-31T10:09:36,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8 2025-08-31T10:09:36,669 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8 2025-08-31T10:09:36,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18 2025-08-31T10:09:36,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o 2025-08-31T10:09:36,675 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o 2025-08-31T10:09:36,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4 2025-08-31T10:09:36,679 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4 2025-08-31T10:09:36,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1 2025-08-31T10:09:36,683 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1 2025-08-31T10:09:36,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o 2025-08-31T10:09:36,687 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o 2025-08-31T10:09:36,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4 2025-08-31T10:09:36,691 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4 2025-08-31T10:09:36,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o 2025-08-31T10:09:36,695 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o 2025-08-31T10:09:36,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3 2025-08-31T10:09:36,699 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3 2025-08-31T10:09:36,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o 2025-08-31T10:09:36,703 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o 2025-08-31T10:09:36,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o 2025-08-31T10:09:36,708 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o 2025-08-31T10:09:36,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8 2025-08-31T10:09:36,712 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8 2025-08-31T10:09:36,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1 2025-08-31T10:09:36,716 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1 2025-08-31T10:09:36,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9 2025-08-31T10:09:36,720 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9 2025-08-31T10:09:36,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o 2025-08-31T10:09:36,724 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o 2025-08-31T10:09:36,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5 2025-08-31T10:09:36,728 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5 2025-08-31T10:09:36,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2 2025-08-31T10:09:36,732 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2 2025-08-31T10:09:36,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7 2025-08-31T10:09:36,736 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7 2025-08-31T10:09:36,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6 2025-08-31T10:09:36,740 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6 2025-08-31T10:09:36,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o 2025-08-31T10:09:36,744 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o 2025-08-31T10:09:36,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o 2025-08-31T10:09:36,748 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o 2025-08-31T10:09:36,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3 2025-08-31T10:09:36,752 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3 2025-08-31T10:09:36,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o 2025-08-31T10:09:36,756 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o 2025-08-31T10:09:36,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6 2025-08-31T10:09:36,760 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6 2025-08-31T10:09:36,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o 2025-08-31T10:09:36,764 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o 2025-08-31T10:09:36,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2 2025-08-31T10:09:36,768 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2 2025-08-31T10:09:36,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8 2025-08-31T10:09:36,772 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8 2025-08-31T10:09:36,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9 2025-08-31T10:09:36,775 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9 2025-08-31T10:09:36,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5 2025-08-31T10:09:36,778 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5 2025-08-31T10:09:36,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7 2025-08-31T10:09:36,781 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7 2025-08-31T10:09:36,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43 2025-08-31T10:09:36,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02 2025-08-31T10:09:36,787 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02 2025-08-31T10:09:36,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23 2025-08-31T10:09:36,790 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23 2025-08-31T10:09:36,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08 2025-08-31T10:09:36,794 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08 2025-08-31T10:09:36,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2 2025-08-31T10:09:36,797 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2 2025-08-31T10:09:36,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30 2025-08-31T10:09:36,800 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30 2025-08-31T10:09:36,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2 2025-08-31T10:09:36,804 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2 2025-08-31T10:09:36,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29 2025-08-31T10:09:36,807 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29 2025-08-31T10:09:36,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06 2025-08-31T10:09:36,811 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06 2025-08-31T10:09:36,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3 2025-08-31T10:09:36,814 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3 2025-08-31T10:09:36,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2 2025-08-31T10:09:36,817 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2 2025-08-31T10:09:36,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42 2025-08-31T10:09:36,820 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42 2025-08-31T10:09:36,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10 2025-08-31T10:09:36,823 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10 2025-08-31T10:09:36,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34 2025-08-31T10:09:36,827 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34 2025-08-31T10:09:36,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2 2025-08-31T10:09:36,830 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2 2025-08-31T10:09:36,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22 2025-08-31T10:09:36,834 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22 2025-08-31T10:09:36,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18 2025-08-31T10:09:36,837 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18 2025-08-31T10:09:36,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16 2025-08-31T10:09:36,841 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16 2025-08-31T10:09:36,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04 2025-08-31T10:09:36,844 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04 2025-08-31T10:09:36,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37 2025-08-31T10:09:36,847 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37 2025-08-31T10:09:36,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40 2025-08-31T10:09:36,851 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40 2025-08-31T10:09:36,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09 2025-08-31T10:09:36,855 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09 2025-08-31T10:09:36,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28 2025-08-31T10:09:36,858 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28 2025-08-31T10:09:36,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36 2025-08-31T10:09:36,861 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36 2025-08-31T10:09:36,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21 2025-08-31T10:09:36,865 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21 2025-08-31T10:09:36,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13 2025-08-31T10:09:36,868 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13 2025-08-31T10:09:36,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4 2025-08-31T10:09:36,872 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4 2025-08-31T10:09:36,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25 2025-08-31T10:09:36,875 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25 2025-08-31T10:09:36,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32 2025-08-31T10:09:36,879 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32 2025-08-31T10:09:36,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41 2025-08-31T10:09:36,882 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41 2025-08-31T10:09:36,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14 2025-08-31T10:09:36,886 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14 2025-08-31T10:09:36,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15 2025-08-31T10:09:36,890 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15 2025-08-31T10:09:36,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2 2025-08-31T10:09:36,893 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2 2025-08-31T10:09:36,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38 2025-08-31T10:09:36,897 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38 2025-08-31T10:09:36,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24 2025-08-31T10:09:36,900 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24 2025-08-31T10:09:36,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19 2025-08-31T10:09:36,903 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19 2025-08-31T10:09:36,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01 2025-08-31T10:09:36,906 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01 2025-08-31T10:09:36,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2 2025-08-31T10:09:36,910 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2 2025-08-31T10:09:36,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31 2025-08-31T10:09:36,913 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31 2025-08-31T10:09:36,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4 2025-08-31T10:09:36,917 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4 2025-08-31T10:09:36,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26 2025-08-31T10:09:36,920 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26 2025-08-31T10:09:36,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03 2025-08-31T10:09:36,923 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03 2025-08-31T10:09:36,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20 2025-08-31T10:09:36,927 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20 2025-08-31T10:09:36,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43 2025-08-31T10:09:36,930 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43 2025-08-31T10:09:36,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH 2025-08-31T10:09:36,933 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH 2025-08-31T10:09:36,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33 2025-08-31T10:09:36,937 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33 2025-08-31T10:09:36,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12 2025-08-31T10:09:36,940 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12 2025-08-31T10:09:36,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17 2025-08-31T10:09:36,944 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17 2025-08-31T10:09:36,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH 2025-08-31T10:09:36,947 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH 2025-08-31T10:09:36,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35 2025-08-31T10:09:36,950 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35 2025-08-31T10:09:36,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2 2025-08-31T10:09:36,954 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2 2025-08-31T10:09:36,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39 2025-08-31T10:09:36,957 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39 2025-08-31T10:09:36,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2 2025-08-31T10:09:36,961 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2 2025-08-31T10:09:36,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05 2025-08-31T10:09:36,964 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05 2025-08-31T10:09:36,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3 2025-08-31T10:09:36,968 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3 2025-08-31T10:09:36,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2 2025-08-31T10:09:36,971 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2 2025-08-31T10:09:36,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07 2025-08-31T10:09:36,975 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07 2025-08-31T10:09:36,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11 2025-08-31T10:09:36,979 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11 2025-08-31T10:09:36,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27 2025-08-31T10:09:36,982 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27 2025-08-31T10:09:36,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18 2025-08-31T10:09:36,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3 2025-08-31T10:09:36,988 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3 2025-08-31T10:09:36,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar 2025-08-31T10:09:36,991 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar 2025-08-31T10:09:36,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2 2025-08-31T10:09:36,994 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2 2025-08-31T10:09:36,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr 2025-08-31T10:09:36,998 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr 2025-08-31T10:09:37,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr 2025-08-31T10:09:37,001 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr 2025-08-31T10:09:37,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2 2025-08-31T10:09:37,005 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2 2025-08-31T10:09:37,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar 2025-08-31T10:09:37,008 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar 2025-08-31T10:09:37,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2 2025-08-31T10:09:37,012 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2 2025-08-31T10:09:37,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf 2025-08-31T10:09:37,016 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf 2025-08-31T10:09:37,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne 2025-08-31T10:09:37,019 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne 2025-08-31T10:09:37,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3 2025-08-31T10:09:37,023 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3 2025-08-31T10:09:37,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr 2025-08-31T10:09:37,026 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr 2025-08-31T10:09:37,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne 2025-08-31T10:09:37,030 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne 2025-08-31T10:09:37,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4 2025-08-31T10:09:37,034 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4 2025-08-31T10:09:37,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz 2025-08-31T10:09:37,038 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz 2025-08-31T10:09:37,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4 2025-08-31T10:09:37,041 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4 2025-08-31T10:09:37,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe 2025-08-31T10:09:37,044 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe 2025-08-31T10:09:37,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2 2025-08-31T10:09:37,048 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2 2025-08-31T10:09:37,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6 2025-08-31T10:09:37,051 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6 2025-08-31T10:09:37,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe 2025-08-31T10:09:37,056 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe 2025-08-31T10:09:37,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3 2025-08-31T10:09:37,059 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3 2025-08-31T10:09:37,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr 2025-08-31T10:09:37,062 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr 2025-08-31T10:09:37,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6 2025-08-31T10:09:37,066 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6 2025-08-31T10:09:37,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne 2025-08-31T10:09:37,069 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne 2025-08-31T10:09:37,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar 2025-08-31T10:09:37,072 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar 2025-08-31T10:09:37,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28 2025-08-31T10:09:37,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr 2025-08-31T10:09:37,078 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr 2025-08-31T10:09:37,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4 2025-08-31T10:09:37,081 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4 2025-08-31T10:09:37,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3 2025-08-31T10:09:37,084 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3 2025-08-31T10:09:37,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o 2025-08-31T10:09:37,088 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o 2025-08-31T10:09:37,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3 2025-08-31T10:09:37,092 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3 2025-08-31T10:09:37,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2 2025-08-31T10:09:37,096 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2 2025-08-31T10:09:37,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl 2025-08-31T10:09:37,100 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl 2025-08-31T10:09:37,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o 2025-08-31T10:09:37,105 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o 2025-08-31T10:09:37,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi 2025-08-31T10:09:37,109 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi 2025-08-31T10:09:37,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3 2025-08-31T10:09:37,114 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3 2025-08-31T10:09:37,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3 2025-08-31T10:09:37,118 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3 2025-08-31T10:09:37,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi 2025-08-31T10:09:37,123 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi 2025-08-31T10:09:37,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o 2025-08-31T10:09:37,128 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o 2025-08-31T10:09:37,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr 2025-08-31T10:09:37,132 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr 2025-08-31T10:09:37,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2 2025-08-31T10:09:37,137 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2 2025-08-31T10:09:37,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi 2025-08-31T10:09:37,141 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi 2025-08-31T10:09:37,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s 2025-08-31T10:09:37,146 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s 2025-08-31T10:09:37,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s 2025-08-31T10:09:37,151 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s 2025-08-31T10:09:37,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr 2025-08-31T10:09:37,162 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr 2025-08-31T10:09:37,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr 2025-08-31T10:09:37,167 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr 2025-08-31T10:09:37,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2 2025-08-31T10:09:37,172 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2 2025-08-31T10:09:37,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi 2025-08-31T10:09:37,177 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi 2025-08-31T10:09:37,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl 2025-08-31T10:09:37,181 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl 2025-08-31T10:09:37,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s 2025-08-31T10:09:37,186 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s 2025-08-31T10:09:37,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3 2025-08-31T10:09:37,191 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3 2025-08-31T10:09:37,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2 2025-08-31T10:09:37,195 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2 2025-08-31T10:09:37,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2 2025-08-31T10:09:37,200 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2 2025-08-31T10:09:37,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3 2025-08-31T10:09:37,203 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3 2025-08-31T10:09:37,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl 2025-08-31T10:09:37,207 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl 2025-08-31T10:09:37,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi 2025-08-31T10:09:37,210 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi 2025-08-31T10:09:37,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr 2025-08-31T10:09:37,214 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr 2025-08-31T10:09:37,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o 2025-08-31T10:09:37,217 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o 2025-08-31T10:09:37,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o 2025-08-31T10:09:37,221 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o 2025-08-31T10:09:37,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s 2025-08-31T10:09:37,224 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s 2025-08-31T10:09:37,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl 2025-08-31T10:09:37,228 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl 2025-08-31T10:09:37,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl 2025-08-31T10:09:37,231 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl 2025-08-31T10:09:37,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3 2025-08-31T10:09:37,235 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3 2025-08-31T10:09:37,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2 2025-08-31T10:09:37,238 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2 2025-08-31T10:09:37,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF 2025-08-31T10:09:37,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3 2025-08-31T10:09:37,243 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3 2025-08-31T10:09:37,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2 2025-08-31T10:09:37,247 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2 2025-08-31T10:09:37,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2 2025-08-31T10:09:37,250 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2 2025-08-31T10:09:37,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1 2025-08-31T10:09:37,253 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1 2025-08-31T10:09:37,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1 2025-08-31T10:09:37,257 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1 2025-08-31T10:09:37,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1 2025-08-31T10:09:37,260 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1 2025-08-31T10:09:37,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3 2025-08-31T10:09:37,264 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3 2025-08-31T10:09:37,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1 2025-08-31T10:09:37,268 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1 2025-08-31T10:09:37,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2 2025-08-31T10:09:37,272 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2 2025-08-31T10:09:37,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3 2025-08-31T10:09:37,277 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3 2025-08-31T10:09:37,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2 2025-08-31T10:09:37,281 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2 2025-08-31T10:09:37,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2 2025-08-31T10:09:37,286 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2 2025-08-31T10:09:37,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2 2025-08-31T10:09:37,290 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2 2025-08-31T10:09:37,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4 2025-08-31T10:09:37,294 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4 2025-08-31T10:09:37,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1 2025-08-31T10:09:37,299 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1 2025-08-31T10:09:37,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2 2025-08-31T10:09:37,303 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2 2025-08-31T10:09:37,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2 2025-08-31T10:09:37,307 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2 2025-08-31T10:09:37,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3 2025-08-31T10:09:37,311 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3 2025-08-31T10:09:37,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1 2025-08-31T10:09:37,316 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1 2025-08-31T10:09:37,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4 2025-08-31T10:09:37,320 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4 2025-08-31T10:09:37,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1 2025-08-31T10:09:37,324 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1 2025-08-31T10:09:37,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1 2025-08-31T10:09:37,328 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1 2025-08-31T10:09:37,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3 2025-08-31T10:09:37,333 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3 2025-08-31T10:09:37,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2 2025-08-31T10:09:37,337 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2 2025-08-31T10:09:37,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2 2025-08-31T10:09:37,341 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2 2025-08-31T10:09:37,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1 2025-08-31T10:09:37,345 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1 2025-08-31T10:09:37,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1 2025-08-31T10:09:37,349 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1 2025-08-31T10:09:37,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24 2025-08-31T10:09:37,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p 2025-08-31T10:09:37,356 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p 2025-08-31T10:09:37,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e 2025-08-31T10:09:37,360 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e 2025-08-31T10:09:37,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e 2025-08-31T10:09:37,364 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e 2025-08-31T10:09:37,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p 2025-08-31T10:09:37,368 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p 2025-08-31T10:09:37,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e 2025-08-31T10:09:37,371 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e 2025-08-31T10:09:37,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p 2025-08-31T10:09:37,376 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p 2025-08-31T10:09:37,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e 2025-08-31T10:09:37,380 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e 2025-08-31T10:09:37,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e 2025-08-31T10:09:37,385 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e 2025-08-31T10:09:37,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p 2025-08-31T10:09:37,389 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p 2025-08-31T10:09:37,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e 2025-08-31T10:09:37,394 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e 2025-08-31T10:09:37,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p 2025-08-31T10:09:37,397 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p 2025-08-31T10:09:37,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p 2025-08-31T10:09:37,401 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p 2025-08-31T10:09:37,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p 2025-08-31T10:09:37,405 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p 2025-08-31T10:09:37,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e 2025-08-31T10:09:37,409 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e 2025-08-31T10:09:37,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e 2025-08-31T10:09:37,414 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e 2025-08-31T10:09:37,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p 2025-08-31T10:09:37,418 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p 2025-08-31T10:09:37,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e 2025-08-31T10:09:37,422 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e 2025-08-31T10:09:37,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p 2025-08-31T10:09:37,426 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p 2025-08-31T10:09:37,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e 2025-08-31T10:09:37,429 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e 2025-08-31T10:09:37,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e 2025-08-31T10:09:37,433 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e 2025-08-31T10:09:37,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e 2025-08-31T10:09:37,436 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e 2025-08-31T10:09:37,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e 2025-08-31T10:09:37,440 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e 2025-08-31T10:09:37,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e 2025-08-31T10:09:37,444 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e 2025-08-31T10:09:37,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e 2025-08-31T10:09:37,447 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e 2025-08-31T10:09:37,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e 2025-08-31T10:09:37,451 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e 2025-08-31T10:09:37,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p 2025-08-31T10:09:37,454 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p 2025-08-31T10:09:37,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e 2025-08-31T10:09:37,458 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e 2025-08-31T10:09:37,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p 2025-08-31T10:09:37,461 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p 2025-08-31T10:09:37,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p 2025-08-31T10:09:37,465 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p 2025-08-31T10:09:37,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p 2025-08-31T10:09:37,470 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p 2025-08-31T10:09:37,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e 2025-08-31T10:09:37,474 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e 2025-08-31T10:09:37,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p 2025-08-31T10:09:37,478 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p 2025-08-31T10:09:37,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p 2025-08-31T10:09:37,482 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p 2025-08-31T10:09:37,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p 2025-08-31T10:09:37,486 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p 2025-08-31T10:09:37,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e 2025-08-31T10:09:37,491 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e 2025-08-31T10:09:37,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p 2025-08-31T10:09:37,495 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p 2025-08-31T10:09:37,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e 2025-08-31T10:09:37,499 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e 2025-08-31T10:09:37,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p 2025-08-31T10:09:37,503 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p 2025-08-31T10:09:37,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p 2025-08-31T10:09:37,507 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p 2025-08-31T10:09:37,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p 2025-08-31T10:09:37,511 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p 2025-08-31T10:09:37,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p 2025-08-31T10:09:37,515 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p 2025-08-31T10:09:37,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e 2025-08-31T10:09:37,520 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e 2025-08-31T10:09:37,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p 2025-08-31T10:09:37,524 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p 2025-08-31T10:09:37,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e 2025-08-31T10:09:37,528 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e 2025-08-31T10:09:37,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p 2025-08-31T10:09:37,533 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p 2025-08-31T10:09:37,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p 2025-08-31T10:09:37,537 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p 2025-08-31T10:09:37,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e 2025-08-31T10:09:37,542 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e 2025-08-31T10:09:37,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e 2025-08-31T10:09:37,546 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e 2025-08-31T10:09:37,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6 2025-08-31T10:09:37,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23 2025-08-31T10:09:37,553 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23 2025-08-31T10:09:37,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A 2025-08-31T10:09:37,557 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A 2025-08-31T10:09:37,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A 2025-08-31T10:09:37,561 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A 2025-08-31T10:09:37,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22 2025-08-31T10:09:37,566 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22 2025-08-31T10:09:37,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A 2025-08-31T10:09:37,570 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A 2025-08-31T10:09:37,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B 2025-08-31T10:09:37,574 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B 2025-08-31T10:09:37,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25 2025-08-31T10:09:37,578 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25 2025-08-31T10:09:37,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A 2025-08-31T10:09:37,581 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A 2025-08-31T10:09:37,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24 2025-08-31T10:09:37,585 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24 2025-08-31T10:09:37,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B 2025-08-31T10:09:37,588 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B 2025-08-31T10:09:37,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26 2025-08-31T10:09:37,593 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26 2025-08-31T10:09:37,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A 2025-08-31T10:09:37,597 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A 2025-08-31T10:09:37,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B 2025-08-31T10:09:37,601 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B 2025-08-31T10:09:37,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B 2025-08-31T10:09:37,605 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B 2025-08-31T10:09:37,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A 2025-08-31T10:09:37,609 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A 2025-08-31T10:09:37,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B 2025-08-31T10:09:37,614 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B 2025-08-31T10:09:37,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B 2025-08-31T10:09:37,618 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B 2025-08-31T10:09:37,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27 2025-08-31T10:09:37,622 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27 2025-08-31T10:09:37,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC 2025-08-31T10:09:37,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F 2025-08-31T10:09:37,629 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F 2025-08-31T10:09:37,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3 2025-08-31T10:09:37,633 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3 2025-08-31T10:09:37,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H 2025-08-31T10:09:37,638 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H 2025-08-31T10:09:37,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3 2025-08-31T10:09:37,642 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3 2025-08-31T10:09:37,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3 2025-08-31T10:09:37,647 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3 2025-08-31T10:09:37,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2 2025-08-31T10:09:37,651 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2 2025-08-31T10:09:37,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2 2025-08-31T10:09:37,655 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2 2025-08-31T10:09:37,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz 2025-08-31T10:09:37,659 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz 2025-08-31T10:09:37,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3 2025-08-31T10:09:37,662 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3 2025-08-31T10:09:37,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut 2025-08-31T10:09:37,665 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut 2025-08-31T10:09:37,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3 2025-08-31T10:09:37,669 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3 2025-08-31T10:09:37,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3 2025-08-31T10:09:37,672 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3 2025-08-31T10:09:37,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch 2025-08-31T10:09:37,675 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch 2025-08-31T10:09:37,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3 2025-08-31T10:09:37,679 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3 2025-08-31T10:09:37,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh 2025-08-31T10:09:37,682 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh 2025-08-31T10:09:37,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3 2025-08-31T10:09:37,685 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3 2025-08-31T10:09:37,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl 2025-08-31T10:09:37,693 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl 2025-08-31T10:09:37,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3 2025-08-31T10:09:37,697 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3 2025-08-31T10:09:37,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3 2025-08-31T10:09:37,700 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3 2025-08-31T10:09:37,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3 2025-08-31T10:09:37,704 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3 2025-08-31T10:09:37,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2 2025-08-31T10:09:37,707 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2 2025-08-31T10:09:37,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4 2025-08-31T10:09:37,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5 2025-08-31T10:09:37,712 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5 2025-08-31T10:09:37,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he 2025-08-31T10:09:37,716 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he 2025-08-31T10:09:37,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75 2025-08-31T10:09:37,719 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75 2025-08-31T10:09:37,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75 2025-08-31T10:09:37,723 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75 2025-08-31T10:09:37,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0 2025-08-31T10:09:37,726 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0 2025-08-31T10:09:37,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o 2025-08-31T10:09:37,730 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o 2025-08-31T10:09:37,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3 2025-08-31T10:09:37,733 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3 2025-08-31T10:09:37,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0 2025-08-31T10:09:37,736 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0 2025-08-31T10:09:37,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75 2025-08-31T10:09:37,740 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75 2025-08-31T10:09:37,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0 2025-08-31T10:09:37,743 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0 2025-08-31T10:09:37,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+ 2025-08-31T10:09:37,747 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+ 2025-08-31T10:09:37,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25 2025-08-31T10:09:37,750 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25 2025-08-31T10:09:37,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5 2025-08-31T10:09:37,754 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5 2025-08-31T10:09:37,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25 2025-08-31T10:09:37,758 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25 2025-08-31T10:09:37,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25 2025-08-31T10:09:37,761 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25 2025-08-31T10:09:37,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0 2025-08-31T10:09:37,764 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0 2025-08-31T10:09:37,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h 2025-08-31T10:09:37,768 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h 2025-08-31T10:09:37,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+ 2025-08-31T10:09:37,771 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+ 2025-08-31T10:09:37,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5 2025-08-31T10:09:37,774 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5 2025-08-31T10:09:37,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25 2025-08-31T10:09:37,778 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25 2025-08-31T10:09:37,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5 2025-08-31T10:09:37,781 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5 2025-08-31T10:09:37,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75 2025-08-31T10:09:37,784 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75 2025-08-31T10:09:37,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+ 2025-08-31T10:09:37,788 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+ 2025-08-31T10:09:37,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23 2025-08-31T10:09:37,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p 2025-08-31T10:09:37,793 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p 2025-08-31T10:09:37,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m 2025-08-31T10:09:37,796 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m 2025-08-31T10:09:37,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a 2025-08-31T10:09:37,800 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a 2025-08-31T10:09:37,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z 2025-08-31T10:09:37,804 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z 2025-08-31T10:09:37,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b 2025-08-31T10:09:37,807 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b 2025-08-31T10:09:37,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e 2025-08-31T10:09:37,811 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e 2025-08-31T10:09:37,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a 2025-08-31T10:09:37,814 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a 2025-08-31T10:09:37,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h 2025-08-31T10:09:37,818 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h 2025-08-31T10:09:37,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a 2025-08-31T10:09:37,821 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a 2025-08-31T10:09:37,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a 2025-08-31T10:09:37,825 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a 2025-08-31T10:09:37,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d 2025-08-31T10:09:37,828 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d 2025-08-31T10:09:37,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g 2025-08-31T10:09:37,831 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g 2025-08-31T10:09:37,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p 2025-08-31T10:09:37,835 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p 2025-08-31T10:09:37,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a 2025-08-31T10:09:37,838 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a 2025-08-31T10:09:37,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a 2025-08-31T10:09:37,842 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a 2025-08-31T10:09:37,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f 2025-08-31T10:09:37,845 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f 2025-08-31T10:09:37,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b 2025-08-31T10:09:37,849 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b 2025-08-31T10:09:37,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p 2025-08-31T10:09:37,853 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p 2025-08-31T10:09:37,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c 2025-08-31T10:09:37,856 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c 2025-08-31T10:09:37,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b 2025-08-31T10:09:37,860 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b 2025-08-31T10:09:37,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d 2025-08-31T10:09:37,863 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d 2025-08-31T10:09:37,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p 2025-08-31T10:09:37,867 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p 2025-08-31T10:09:37,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b 2025-08-31T10:09:37,870 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b 2025-08-31T10:09:37,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa 2025-08-31T10:09:37,873 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa 2025-08-31T10:09:37,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO 2025-08-31T10:09:37,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4 2025-08-31T10:09:37,879 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4 2025-08-31T10:09:37,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8 2025-08-31T10:09:37,882 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8 2025-08-31T10:09:37,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3 2025-08-31T10:09:37,886 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3 2025-08-31T10:09:37,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10 2025-08-31T10:09:37,890 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10 2025-08-31T10:09:37,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7 2025-08-31T10:09:37,893 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7 2025-08-31T10:09:37,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6 2025-08-31T10:09:37,897 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6 2025-08-31T10:09:37,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1 2025-08-31T10:09:37,901 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1 2025-08-31T10:09:37,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2 2025-08-31T10:09:37,904 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2 2025-08-31T10:09:37,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5 2025-08-31T10:09:37,907 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5 2025-08-31T10:09:37,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9 2025-08-31T10:09:37,911 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9 2025-08-31T10:09:37,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15 2025-08-31T10:09:37,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a 2025-08-31T10:09:37,916 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a 2025-08-31T10:09:37,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b 2025-08-31T10:09:37,919 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b 2025-08-31T10:09:37,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a 2025-08-31T10:09:37,923 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a 2025-08-31T10:09:37,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a 2025-08-31T10:09:37,926 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a 2025-08-31T10:09:37,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b 2025-08-31T10:09:37,930 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b 2025-08-31T10:09:37,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b 2025-08-31T10:09:37,933 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b 2025-08-31T10:09:37,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b 2025-08-31T10:09:37,937 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b 2025-08-31T10:09:37,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a 2025-08-31T10:09:37,940 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a 2025-08-31T10:09:37,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a 2025-08-31T10:09:37,943 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a 2025-08-31T10:09:37,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a 2025-08-31T10:09:37,947 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a 2025-08-31T10:09:37,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c 2025-08-31T10:09:37,950 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c 2025-08-31T10:09:37,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d 2025-08-31T10:09:37,953 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d 2025-08-31T10:09:37,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d 2025-08-31T10:09:37,957 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d 2025-08-31T10:09:37,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a 2025-08-31T10:09:37,960 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a 2025-08-31T10:09:37,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a 2025-08-31T10:09:37,964 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a 2025-08-31T10:09:37,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a 2025-08-31T10:09:37,967 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a 2025-08-31T10:09:37,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b 2025-08-31T10:09:37,971 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b 2025-08-31T10:09:37,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b 2025-08-31T10:09:37,975 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b 2025-08-31T10:09:37,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b 2025-08-31T10:09:37,979 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b 2025-08-31T10:09:37,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a 2025-08-31T10:09:37,982 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a 2025-08-31T10:09:37,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b 2025-08-31T10:09:37,985 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b 2025-08-31T10:09:37,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c 2025-08-31T10:09:37,988 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c 2025-08-31T10:09:37,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b 2025-08-31T10:09:37,992 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b 2025-08-31T10:09:37,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b 2025-08-31T10:09:37,995 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b 2025-08-31T10:09:37,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c 2025-08-31T10:09:37,998 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c 2025-08-31T10:09:38,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51 2025-08-31T10:09:38,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2 2025-08-31T10:09:38,005 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2 2025-08-31T10:09:38,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene 2025-08-31T10:09:38,008 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene 2025-08-31T10:09:38,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11 2025-08-31T10:09:38,011 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11 2025-08-31T10:09:38,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S 2025-08-31T10:09:38,015 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S 2025-08-31T10:09:38,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H 2025-08-31T10:09:38,018 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H 2025-08-31T10:09:38,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane 2025-08-31T10:09:38,021 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane 2025-08-31T10:09:38,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane 2025-08-31T10:09:38,025 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane 2025-08-31T10:09:38,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole 2025-08-31T10:09:38,028 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole 2025-08-31T10:09:38,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H 2025-08-31T10:09:38,032 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H 2025-08-31T10:09:38,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3 2025-08-31T10:09:38,035 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3 2025-08-31T10:09:38,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2 2025-08-31T10:09:38,038 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2 2025-08-31T10:09:38,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol 2025-08-31T10:09:38,041 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol 2025-08-31T10:09:38,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole 2025-08-31T10:09:38,045 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole 2025-08-31T10:09:38,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2 2025-08-31T10:09:38,048 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2 2025-08-31T10:09:38,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene 2025-08-31T10:09:38,051 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene 2025-08-31T10:09:38,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole 2025-08-31T10:09:38,054 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole 2025-08-31T10:09:38,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH 2025-08-31T10:09:38,058 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH 2025-08-31T10:09:38,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine 2025-08-31T10:09:38,061 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine 2025-08-31T10:09:38,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene 2025-08-31T10:09:38,065 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene 2025-08-31T10:09:38,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2 2025-08-31T10:09:38,068 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2 2025-08-31T10:09:38,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane 2025-08-31T10:09:38,071 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane 2025-08-31T10:09:38,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene 2025-08-31T10:09:38,074 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene 2025-08-31T10:09:38,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO 2025-08-31T10:09:38,077 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO 2025-08-31T10:09:38,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane 2025-08-31T10:09:38,081 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane 2025-08-31T10:09:38,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2 2025-08-31T10:09:38,084 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2 2025-08-31T10:09:38,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2 2025-08-31T10:09:38,087 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2 2025-08-31T10:09:38,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran 2025-08-31T10:09:38,091 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran 2025-08-31T10:09:38,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN 2025-08-31T10:09:38,094 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN 2025-08-31T10:09:38,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane 2025-08-31T10:09:38,097 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane 2025-08-31T10:09:38,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2 2025-08-31T10:09:38,100 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2 2025-08-31T10:09:38,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole 2025-08-31T10:09:38,104 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole 2025-08-31T10:09:38,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene 2025-08-31T10:09:38,107 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene 2025-08-31T10:09:38,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2 2025-08-31T10:09:38,110 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2 2025-08-31T10:09:38,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO 2025-08-31T10:09:38,114 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO 2025-08-31T10:09:38,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol 2025-08-31T10:09:38,117 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol 2025-08-31T10:09:38,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene 2025-08-31T10:09:38,120 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene 2025-08-31T10:09:38,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2 2025-08-31T10:09:38,123 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2 2025-08-31T10:09:38,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3 2025-08-31T10:09:38,127 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3 2025-08-31T10:09:38,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone 2025-08-31T10:09:38,130 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone 2025-08-31T10:09:38,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone 2025-08-31T10:09:38,133 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone 2025-08-31T10:09:38,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2 2025-08-31T10:09:38,137 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2 2025-08-31T10:09:38,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne 2025-08-31T10:09:38,140 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne 2025-08-31T10:09:38,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane 2025-08-31T10:09:38,143 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane 2025-08-31T10:09:38,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H 2025-08-31T10:09:38,147 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H 2025-08-31T10:09:38,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine 2025-08-31T10:09:38,150 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine 2025-08-31T10:09:38,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2 2025-08-31T10:09:38,153 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2 2025-08-31T10:09:38,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2 2025-08-31T10:09:38,157 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2 2025-08-31T10:09:38,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2 2025-08-31T10:09:38,160 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2 2025-08-31T10:09:38,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2 2025-08-31T10:09:38,163 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2 2025-08-31T10:09:38,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene 2025-08-31T10:09:38,167 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene 2025-08-31T10:09:38,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO 2025-08-31T10:09:38,170 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO 2025-08-31T10:09:38,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2 2025-08-31T10:09:38,174 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2 2025-08-31T10:09:38,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne 2025-08-31T10:09:38,177 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne 2025-08-31T10:09:38,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane 2025-08-31T10:09:38,180 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane 2025-08-31T10:09:38,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3 2025-08-31T10:09:38,184 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3 2025-08-31T10:09:38,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2 2025-08-31T10:09:38,187 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2 2025-08-31T10:09:38,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne 2025-08-31T10:09:38,190 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne 2025-08-31T10:09:38,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO 2025-08-31T10:09:38,193 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO 2025-08-31T10:09:38,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O 2025-08-31T10:09:38,197 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O 2025-08-31T10:09:38,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane 2025-08-31T10:09:38,200 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane 2025-08-31T10:09:38,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2 2025-08-31T10:09:38,204 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2 2025-08-31T10:09:38,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2025-08-31T10:09:38,207 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2025-08-31T10:09:38,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3 2025-08-31T10:09:38,211 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3 2025-08-31T10:09:38,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene 2025-08-31T10:09:38,214 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene 2025-08-31T10:09:38,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane 2025-08-31T10:09:38,218 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane 2025-08-31T10:09:38,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne 2025-08-31T10:09:38,222 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne 2025-08-31T10:09:38,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol 2025-08-31T10:09:38,225 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol 2025-08-31T10:09:38,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane 2025-08-31T10:09:38,229 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane 2025-08-31T10:09:38,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H 2025-08-31T10:09:38,232 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H 2025-08-31T10:09:38,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione 2025-08-31T10:09:38,235 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione 2025-08-31T10:09:38,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H 2025-08-31T10:09:38,238 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H 2025-08-31T10:09:38,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene 2025-08-31T10:09:38,242 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene 2025-08-31T10:09:38,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN 2025-08-31T10:09:38,245 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN 2025-08-31T10:09:38,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran 2025-08-31T10:09:38,249 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran 2025-08-31T10:09:38,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene 2025-08-31T10:09:38,253 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene 2025-08-31T10:09:38,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO 2025-08-31T10:09:38,257 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO 2025-08-31T10:09:38,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl 2025-08-31T10:09:38,260 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl 2025-08-31T10:09:38,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3 2025-08-31T10:09:38,264 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3 2025-08-31T10:09:38,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene 2025-08-31T10:09:38,268 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene 2025-08-31T10:09:38,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene 2025-08-31T10:09:38,271 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene 2025-08-31T10:09:38,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO 2025-08-31T10:09:38,274 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO 2025-08-31T10:09:38,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2 2025-08-31T10:09:38,277 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2 2025-08-31T10:09:38,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2 2025-08-31T10:09:38,280 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2 2025-08-31T10:09:38,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O 2025-08-31T10:09:38,284 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O 2025-08-31T10:09:38,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol 2025-08-31T10:09:38,287 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol 2025-08-31T10:09:38,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2025-08-31T10:09:38,291 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2025-08-31T10:09:38,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO 2025-08-31T10:09:38,295 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO 2025-08-31T10:09:38,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43 2025-08-31T10:09:38,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5 2025-08-31T10:09:38,301 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5 2025-08-31T10:09:38,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29 2025-08-31T10:09:38,305 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29 2025-08-31T10:09:38,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45 2025-08-31T10:09:38,308 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45 2025-08-31T10:09:38,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1 2025-08-31T10:09:38,312 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1 2025-08-31T10:09:38,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13 2025-08-31T10:09:38,315 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13 2025-08-31T10:09:38,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35 2025-08-31T10:09:38,318 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35 2025-08-31T10:09:38,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40 2025-08-31T10:09:38,321 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40 2025-08-31T10:09:38,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17 2025-08-31T10:09:38,325 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17 2025-08-31T10:09:38,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18 2025-08-31T10:09:38,328 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18 2025-08-31T10:09:38,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17 2025-08-31T10:09:38,331 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17 2025-08-31T10:09:38,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36 2025-08-31T10:09:38,335 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36 2025-08-31T10:09:38,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15 2025-08-31T10:09:38,338 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15 2025-08-31T10:09:38,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32 2025-08-31T10:09:38,341 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32 2025-08-31T10:09:38,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42 2025-08-31T10:09:38,345 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42 2025-08-31T10:09:38,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12 2025-08-31T10:09:38,348 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12 2025-08-31T10:09:38,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40 2025-08-31T10:09:38,352 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40 2025-08-31T10:09:38,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5 2025-08-31T10:09:38,355 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5 2025-08-31T10:09:38,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6 2025-08-31T10:09:38,358 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6 2025-08-31T10:09:38,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28 2025-08-31T10:09:38,361 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28 2025-08-31T10:09:38,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36 2025-08-31T10:09:38,365 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36 2025-08-31T10:09:38,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22 2025-08-31T10:09:38,368 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22 2025-08-31T10:09:38,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33 2025-08-31T10:09:38,372 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33 2025-08-31T10:09:38,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44 2025-08-31T10:09:38,375 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44 2025-08-31T10:09:38,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18 2025-08-31T10:09:38,378 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18 2025-08-31T10:09:38,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7 2025-08-31T10:09:38,382 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7 2025-08-31T10:09:38,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20 2025-08-31T10:09:38,385 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20 2025-08-31T10:09:38,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25 2025-08-31T10:09:38,389 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25 2025-08-31T10:09:38,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23 2025-08-31T10:09:38,392 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23 2025-08-31T10:09:38,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8 2025-08-31T10:09:38,396 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8 2025-08-31T10:09:38,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3 2025-08-31T10:09:38,399 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3 2025-08-31T10:09:38,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4 2025-08-31T10:09:38,402 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4 2025-08-31T10:09:38,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7 2025-08-31T10:09:38,405 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7 2025-08-31T10:09:38,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19 2025-08-31T10:09:38,409 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19 2025-08-31T10:09:38,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27 2025-08-31T10:09:38,412 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27 2025-08-31T10:09:38,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30 2025-08-31T10:09:38,415 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30 2025-08-31T10:09:38,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33 2025-08-31T10:09:38,419 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33 2025-08-31T10:09:38,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9 2025-08-31T10:09:38,422 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9 2025-08-31T10:09:38,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27 2025-08-31T10:09:38,425 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27 2025-08-31T10:09:38,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43 2025-08-31T10:09:38,429 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43 2025-08-31T10:09:38,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25 2025-08-31T10:09:38,432 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25 2025-08-31T10:09:38,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16 2025-08-31T10:09:38,436 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16 2025-08-31T10:09:38,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21 2025-08-31T10:09:38,439 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21 2025-08-31T10:09:38,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12 2025-08-31T10:09:38,442 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12 2025-08-31T10:09:38,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43 2025-08-31T10:09:38,445 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43 2025-08-31T10:09:38,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6 2025-08-31T10:09:38,449 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6 2025-08-31T10:09:38,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39 2025-08-31T10:09:38,452 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39 2025-08-31T10:09:38,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31 2025-08-31T10:09:38,455 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31 2025-08-31T10:09:38,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4 2025-08-31T10:09:38,459 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4 2025-08-31T10:09:38,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16 2025-08-31T10:09:38,462 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16 2025-08-31T10:09:38,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2 2025-08-31T10:09:38,466 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2 2025-08-31T10:09:38,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20 2025-08-31T10:09:38,469 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20 2025-08-31T10:09:38,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35 2025-08-31T10:09:38,473 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35 2025-08-31T10:09:38,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37 2025-08-31T10:09:38,476 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37 2025-08-31T10:09:38,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13 2025-08-31T10:09:38,479 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13 2025-08-31T10:09:38,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39 2025-08-31T10:09:38,482 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39 2025-08-31T10:09:38,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30 2025-08-31T10:09:38,486 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30 2025-08-31T10:09:38,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24 2025-08-31T10:09:38,489 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24 2025-08-31T10:09:38,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42 2025-08-31T10:09:38,492 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42 2025-08-31T10:09:38,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34 2025-08-31T10:09:38,496 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34 2025-08-31T10:09:38,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24 2025-08-31T10:09:38,499 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24 2025-08-31T10:09:38,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19 2025-08-31T10:09:38,502 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19 2025-08-31T10:09:38,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34 2025-08-31T10:09:38,506 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34 2025-08-31T10:09:38,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31 2025-08-31T10:09:38,509 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31 2025-08-31T10:09:38,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38 2025-08-31T10:09:38,513 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38 2025-08-31T10:09:38,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22 2025-08-31T10:09:38,517 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22 2025-08-31T10:09:38,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8 2025-08-31T10:09:38,521 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8 2025-08-31T10:09:38,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23 2025-08-31T10:09:38,524 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23 2025-08-31T10:09:38,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1 2025-08-31T10:09:38,527 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1 2025-08-31T10:09:38,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26 2025-08-31T10:09:38,531 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26 2025-08-31T10:09:38,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38 2025-08-31T10:09:38,534 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38 2025-08-31T10:09:38,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10 2025-08-31T10:09:38,538 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10 2025-08-31T10:09:38,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41 2025-08-31T10:09:38,541 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41 2025-08-31T10:09:38,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45 2025-08-31T10:09:38,545 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45 2025-08-31T10:09:38,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21 2025-08-31T10:09:38,548 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21 2025-08-31T10:09:38,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37 2025-08-31T10:09:38,551 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37 2025-08-31T10:09:38,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9 2025-08-31T10:09:38,555 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9 2025-08-31T10:09:38,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11 2025-08-31T10:09:38,558 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11 2025-08-31T10:09:38,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32 2025-08-31T10:09:38,562 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32 2025-08-31T10:09:38,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15 2025-08-31T10:09:38,565 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15 2025-08-31T10:09:38,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28 2025-08-31T10:09:38,568 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28 2025-08-31T10:09:38,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26 2025-08-31T10:09:38,572 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26 2025-08-31T10:09:38,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29 2025-08-31T10:09:38,575 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29 2025-08-31T10:09:38,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3 2025-08-31T10:09:38,578 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3 2025-08-31T10:09:38,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41 2025-08-31T10:09:38,582 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41 2025-08-31T10:09:38,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2 2025-08-31T10:09:38,585 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2 2025-08-31T10:09:38,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44 2025-08-31T10:09:38,588 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44 2025-08-31T10:09:38,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10 2025-08-31T10:09:38,592 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10 2025-08-31T10:09:38,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11 2025-08-31T10:09:38,595 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11 2025-08-31T10:09:38,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10 2025-08-31T10:09:38,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio 2025-08-31T10:09:38,600 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio 2025-08-31T10:09:38,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf 2025-08-31T10:09:38,604 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf 2025-08-31T10:09:38,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k 2025-08-31T10:09:38,607 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k 2025-08-31T10:09:38,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be 2025-08-31T10:09:38,610 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be 2025-08-31T10:09:38,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s 2025-08-31T10:09:38,613 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s 2025-08-31T10:09:38,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf 2025-08-31T10:09:38,616 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf 2025-08-31T10:09:38,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo 2025-08-31T10:09:38,620 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo 2025-08-31T10:09:38,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o 2025-08-31T10:09:38,623 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o 2025-08-31T10:09:38,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo 2025-08-31T10:09:38,626 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo 2025-08-31T10:09:38,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs 2025-08-31T10:09:38,630 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs 2025-08-31T10:09:38,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao 2025-08-31T10:09:38,633 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao 2025-08-31T10:09:38,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao 2025-08-31T10:09:38,636 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao 2025-08-31T10:09:38,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg 2025-08-31T10:09:38,640 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg 2025-08-31T10:09:38,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li 2025-08-31T10:09:38,643 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li 2025-08-31T10:09:38,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h 2025-08-31T10:09:38,647 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h 2025-08-31T10:09:38,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca 2025-08-31T10:09:38,650 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca 2025-08-31T10:09:38,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na 2025-08-31T10:09:38,653 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na 2025-08-31T10:09:38,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif 2025-08-31T10:09:38,657 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif 2025-08-31T10:09:38,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f 2025-08-31T10:09:38,660 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f 2025-08-31T10:09:38,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef 2025-08-31T10:09:38,663 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef 2025-08-31T10:09:38,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC 2025-08-31T10:09:38,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121 2025-08-31T10:09:38,669 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121 2025-08-31T10:09:38,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94 2025-08-31T10:09:38,672 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94 2025-08-31T10:09:38,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68 2025-08-31T10:09:38,676 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68 2025-08-31T10:09:38,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23 2025-08-31T10:09:38,679 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23 2025-08-31T10:09:38,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8 2025-08-31T10:09:38,683 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8 2025-08-31T10:09:38,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30 2025-08-31T10:09:38,686 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30 2025-08-31T10:09:38,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57 2025-08-31T10:09:38,689 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57 2025-08-31T10:09:38,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106 2025-08-31T10:09:38,693 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106 2025-08-31T10:09:38,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56 2025-08-31T10:09:38,696 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56 2025-08-31T10:09:38,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60 2025-08-31T10:09:38,700 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60 2025-08-31T10:09:38,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61 2025-08-31T10:09:38,703 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61 2025-08-31T10:09:38,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88 2025-08-31T10:09:38,706 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88 2025-08-31T10:09:38,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126 2025-08-31T10:09:38,709 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126 2025-08-31T10:09:38,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34 2025-08-31T10:09:38,713 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34 2025-08-31T10:09:38,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113 2025-08-31T10:09:38,716 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113 2025-08-31T10:09:38,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73 2025-08-31T10:09:38,719 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73 2025-08-31T10:09:38,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118 2025-08-31T10:09:38,723 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118 2025-08-31T10:09:38,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97 2025-08-31T10:09:38,726 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97 2025-08-31T10:09:38,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67 2025-08-31T10:09:38,730 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67 2025-08-31T10:09:38,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22 2025-08-31T10:09:38,733 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22 2025-08-31T10:09:38,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18 2025-08-31T10:09:38,736 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18 2025-08-31T10:09:38,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52 2025-08-31T10:09:38,740 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52 2025-08-31T10:09:38,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59 2025-08-31T10:09:38,743 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59 2025-08-31T10:09:38,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40 2025-08-31T10:09:38,746 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40 2025-08-31T10:09:38,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47 2025-08-31T10:09:38,750 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47 2025-08-31T10:09:38,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21 2025-08-31T10:09:38,753 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21 2025-08-31T10:09:38,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66 2025-08-31T10:09:38,756 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66 2025-08-31T10:09:38,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13 2025-08-31T10:09:38,760 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13 2025-08-31T10:09:38,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58 2025-08-31T10:09:38,763 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58 2025-08-31T10:09:38,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25 2025-08-31T10:09:38,767 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25 2025-08-31T10:09:38,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32 2025-08-31T10:09:38,770 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32 2025-08-31T10:09:38,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6 2025-08-31T10:09:38,774 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6 2025-08-31T10:09:38,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14 2025-08-31T10:09:38,777 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14 2025-08-31T10:09:38,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1 2025-08-31T10:09:38,780 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1 2025-08-31T10:09:38,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24 2025-08-31T10:09:38,784 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24 2025-08-31T10:09:38,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45 2025-08-31T10:09:38,787 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45 2025-08-31T10:09:38,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26 2025-08-31T10:09:38,791 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26 2025-08-31T10:09:38,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104 2025-08-31T10:09:38,794 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104 2025-08-31T10:09:38,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100 2025-08-31T10:09:38,797 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100 2025-08-31T10:09:38,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33 2025-08-31T10:09:38,801 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33 2025-08-31T10:09:38,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51 2025-08-31T10:09:38,804 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51 2025-08-31T10:09:38,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39 2025-08-31T10:09:38,808 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39 2025-08-31T10:09:38,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117 2025-08-31T10:09:38,811 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117 2025-08-31T10:09:38,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128 2025-08-31T10:09:38,814 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128 2025-08-31T10:09:38,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82 2025-08-31T10:09:38,818 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82 2025-08-31T10:09:38,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62 2025-08-31T10:09:38,821 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62 2025-08-31T10:09:38,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11 2025-08-31T10:09:38,824 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11 2025-08-31T10:09:38,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA 2025-08-31T10:09:38,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n 2025-08-31T10:09:38,830 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n 2025-08-31T10:09:38,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n 2025-08-31T10:09:38,833 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n 2025-08-31T10:09:38,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s 2025-08-31T10:09:38,836 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s 2025-08-31T10:09:38,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10 2025-08-31T10:09:38,839 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10 2025-08-31T10:09:38,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11 2025-08-31T10:09:38,843 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11 2025-08-31T10:09:38,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8 2025-08-31T10:09:38,846 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8 2025-08-31T10:09:38,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n 2025-08-31T10:09:38,850 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n 2025-08-31T10:09:38,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16 2025-08-31T10:09:38,853 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16 2025-08-31T10:09:38,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n 2025-08-31T10:09:38,856 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n 2025-08-31T10:09:38,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n 2025-08-31T10:09:38,860 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n 2025-08-31T10:09:38,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13 2025-08-31T10:09:38,863 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13 2025-08-31T10:09:38,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20 2025-08-31T10:09:38,867 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20 2025-08-31T10:09:38,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19 2025-08-31T10:09:38,870 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19 2025-08-31T10:09:38,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n 2025-08-31T10:09:38,873 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n 2025-08-31T10:09:38,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n 2025-08-31T10:09:38,877 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n 2025-08-31T10:09:38,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p- 2025-08-31T10:09:38,880 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p- 2025-08-31T10:09:38,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c- 2025-08-31T10:09:38,883 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c- 2025-08-31T10:09:38,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o- 2025-08-31T10:09:38,887 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o- 2025-08-31T10:09:38,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22 2025-08-31T10:09:38,890 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22 2025-08-31T10:09:38,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23 2025-08-31T10:09:38,894 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23 2025-08-31T10:09:38,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12 2025-08-31T10:09:38,897 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12 2025-08-31T10:09:38,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si 2025-08-31T10:09:38,900 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si 2025-08-31T10:09:38,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl 2025-08-31T10:09:38,904 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl 2025-08-31T10:09:38,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9 2025-08-31T10:09:38,907 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9 2025-08-31T10:09:38,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15 2025-08-31T10:09:38,910 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15 2025-08-31T10:09:38,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25 2025-08-31T10:09:38,914 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25 2025-08-31T10:09:38,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si- 2025-08-31T10:09:38,917 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si- 2025-08-31T10:09:38,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n 2025-08-31T10:09:38,920 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n 2025-08-31T10:09:38,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl- 2025-08-31T10:09:38,924 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl- 2025-08-31T10:09:38,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n 2025-08-31T10:09:38,927 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n 2025-08-31T10:09:38,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f- 2025-08-31T10:09:38,930 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f- 2025-08-31T10:09:38,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f 2025-08-31T10:09:38,934 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f 2025-08-31T10:09:38,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14 2025-08-31T10:09:38,937 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14 2025-08-31T10:09:38,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c 2025-08-31T10:09:38,941 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c 2025-08-31T10:09:38,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17 2025-08-31T10:09:38,944 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17 2025-08-31T10:09:38,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n 2025-08-31T10:09:38,948 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n 2025-08-31T10:09:38,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n 2025-08-31T10:09:38,951 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n 2025-08-31T10:09:38,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n 2025-08-31T10:09:38,955 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n 2025-08-31T10:09:38,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n 2025-08-31T10:09:38,958 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n 2025-08-31T10:09:38,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s- 2025-08-31T10:09:38,961 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s- 2025-08-31T10:09:38,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n 2025-08-31T10:09:38,965 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n 2025-08-31T10:09:38,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n 2025-08-31T10:09:38,968 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n 2025-08-31T10:09:38,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n 2025-08-31T10:09:38,972 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n 2025-08-31T10:09:38,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o 2025-08-31T10:09:38,975 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o 2025-08-31T10:09:38,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n 2025-08-31T10:09:38,979 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n 2025-08-31T10:09:38,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p 2025-08-31T10:09:38,982 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p 2025-08-31T10:09:38,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24 2025-08-31T10:09:38,986 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24 2025-08-31T10:09:38,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18 2025-08-31T10:09:38,989 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18 2025-08-31T10:09:38,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n 2025-08-31T10:09:38,993 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n 2025-08-31T10:09:38,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21 2025-08-31T10:09:38,996 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21 2025-08-31T10:09:38,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6 2025-08-31T10:09:39,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5 2025-08-31T10:09:39,001 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5 2025-08-31T10:09:39,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5 2025-08-31T10:09:39,004 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5 2025-08-31T10:09:39,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3 2025-08-31T10:09:39,008 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3 2025-08-31T10:09:39,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7 2025-08-31T10:09:39,011 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7 2025-08-31T10:09:39,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4 2025-08-31T10:09:39,015 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4 2025-08-31T10:09:39,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6 2025-08-31T10:09:39,018 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6 2025-08-31T10:09:39,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2 2025-08-31T10:09:39,022 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2 2025-08-31T10:09:39,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6 2025-08-31T10:09:39,025 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6 2025-08-31T10:09:39,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7 2025-08-31T10:09:39,029 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7 2025-08-31T10:09:39,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4 2025-08-31T10:09:39,032 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4 2025-08-31T10:09:39,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3 2025-08-31T10:09:39,035 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3 2025-08-31T10:09:39,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2 2025-08-31T10:09:39,038 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2 2025-08-31T10:09:39,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13 2025-08-31T10:09:39,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3 2025-08-31T10:09:39,044 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3 2025-08-31T10:09:39,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4 2025-08-31T10:09:39,047 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4 2025-08-31T10:09:39,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5 2025-08-31T10:09:39,050 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5 2025-08-31T10:09:39,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4 2025-08-31T10:09:39,053 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4 2025-08-31T10:09:39,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts 2025-08-31T10:09:39,057 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts 2025-08-31T10:09:39,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts 2025-08-31T10:09:39,060 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts 2025-08-31T10:09:39,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o 2025-08-31T10:09:39,064 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o 2025-08-31T10:09:39,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3 2025-08-31T10:09:39,067 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3 2025-08-31T10:09:39,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6 2025-08-31T10:09:39,070 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6 2025-08-31T10:09:39,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2 2025-08-31T10:09:39,074 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2 2025-08-31T10:09:39,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf 2025-08-31T10:09:39,077 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf 2025-08-31T10:09:39,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5 2025-08-31T10:09:39,080 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5 2025-08-31T10:09:39,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts 2025-08-31T10:09:39,083 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts 2025-08-31T10:09:39,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2 2025-08-31T10:09:39,087 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2 2025-08-31T10:09:39,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts 2025-08-31T10:09:39,091 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts 2025-08-31T10:09:39,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4 2025-08-31T10:09:39,094 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4 2025-08-31T10:09:39,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3 2025-08-31T10:09:39,097 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3 2025-08-31T10:09:39,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts 2025-08-31T10:09:39,101 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts 2025-08-31T10:09:39,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6 2025-08-31T10:09:39,104 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6 2025-08-31T10:09:39,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts 2025-08-31T10:09:39,108 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts 2025-08-31T10:09:39,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts 2025-08-31T10:09:39,111 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts 2025-08-31T10:09:39,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts 2025-08-31T10:09:39,115 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts 2025-08-31T10:09:39,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts 2025-08-31T10:09:39,118 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts 2025-08-31T10:09:39,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts 2025-08-31T10:09:39,121 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts 2025-08-31T10:09:39,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts 2025-08-31T10:09:39,124 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts 2025-08-31T10:09:39,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts 2025-08-31T10:09:39,127 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts 2025-08-31T10:09:39,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2 2025-08-31T10:09:39,131 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2 2025-08-31T10:09:39,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3 2025-08-31T10:09:39,134 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3 2025-08-31T10:09:39,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts 2025-08-31T10:09:39,137 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts 2025-08-31T10:09:39,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC 2025-08-31T10:09:39,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1 2025-08-31T10:09:39,142 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1 2025-08-31T10:09:39,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH 2025-08-31T10:09:39,146 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH 2025-08-31T10:09:39,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein 2025-08-31T10:09:39,149 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein 2025-08-31T10:09:39,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X 2025-08-31T10:09:39,152 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X 2025-08-31T10:09:39,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5 2025-08-31T10:09:39,156 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5 2025-08-31T10:09:39,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene 2025-08-31T10:09:39,160 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene 2025-08-31T10:09:39,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7 2025-08-31T10:09:39,163 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7 2025-08-31T10:09:39,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8 2025-08-31T10:09:39,167 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8 2025-08-31T10:09:39,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane 2025-08-31T10:09:39,170 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane 2025-08-31T10:09:39,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3 2025-08-31T10:09:39,173 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3 2025-08-31T10:09:39,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6 2025-08-31T10:09:39,177 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6 2025-08-31T10:09:39,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4 2025-08-31T10:09:39,180 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4 2025-08-31T10:09:39,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine 2025-08-31T10:09:39,184 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine 2025-08-31T10:09:39,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X 2025-08-31T10:09:39,188 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X 2025-08-31T10:09:39,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X 2025-08-31T10:09:39,191 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X 2025-08-31T10:09:39,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene 2025-08-31T10:09:39,194 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene 2025-08-31T10:09:39,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10 2025-08-31T10:09:39,198 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10 2025-08-31T10:09:39,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene 2025-08-31T10:09:39,201 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene 2025-08-31T10:09:39,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene 2025-08-31T10:09:39,205 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene 2025-08-31T10:09:39,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9 2025-08-31T10:09:39,208 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9 2025-08-31T10:09:39,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2 2025-08-31T10:09:39,211 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2 2025-08-31T10:09:39,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X 2025-08-31T10:09:39,214 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X 2025-08-31T10:09:39,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27 2025-08-31T10:09:39,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6 2025-08-31T10:09:39,220 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6 2025-08-31T10:09:39,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b 2025-08-31T10:09:39,223 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b 2025-08-31T10:09:39,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs 2025-08-31T10:09:39,226 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs 2025-08-31T10:09:39,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6 2025-08-31T10:09:39,230 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6 2025-08-31T10:09:39,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O 2025-08-31T10:09:39,233 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O 2025-08-31T10:09:39,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d 2025-08-31T10:09:39,236 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d 2025-08-31T10:09:39,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2 2025-08-31T10:09:39,240 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2 2025-08-31T10:09:39,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3 2025-08-31T10:09:39,244 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3 2025-08-31T10:09:39,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4 2025-08-31T10:09:39,247 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4 2025-08-31T10:09:39,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2 2025-08-31T10:09:39,250 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2 2025-08-31T10:09:39,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5 2025-08-31T10:09:39,254 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5 2025-08-31T10:09:39,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5 2025-08-31T10:09:39,257 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5 2025-08-31T10:09:39,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs 2025-08-31T10:09:39,260 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs 2025-08-31T10:09:39,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2 2025-08-31T10:09:39,264 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2 2025-08-31T10:09:39,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4 2025-08-31T10:09:39,267 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4 2025-08-31T10:09:39,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20 2025-08-31T10:09:39,271 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20 2025-08-31T10:09:39,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d 2025-08-31T10:09:39,274 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d 2025-08-31T10:09:39,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3 2025-08-31T10:09:39,277 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3 2025-08-31T10:09:39,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op 2025-08-31T10:09:39,281 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op 2025-08-31T10:09:39,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4 2025-08-31T10:09:39,284 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4 2025-08-31T10:09:39,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c 2025-08-31T10:09:39,287 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c 2025-08-31T10:09:39,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O 2025-08-31T10:09:39,291 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O 2025-08-31T10:09:39,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm 2025-08-31T10:09:39,294 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm 2025-08-31T10:09:39,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2 2025-08-31T10:09:39,297 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2 2025-08-31T10:09:39,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm 2025-08-31T10:09:39,301 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm 2025-08-31T10:09:39,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc 2025-08-31T10:09:39,304 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc 2025-08-31T10:09:39,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d 2025-08-31T10:09:39,308 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d 2025-08-31T10:09:39,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es 2025-08-31T10:09:39,311 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es 2025-08-31T10:09:39,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O 2025-08-31T10:09:39,315 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O 2025-08-31T10:09:39,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3 2025-08-31T10:09:39,319 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3 2025-08-31T10:09:39,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC 2025-08-31T10:09:39,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f- 2025-08-31T10:09:39,327 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f- 2025-08-31T10:09:39,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S 2025-08-31T10:09:39,331 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S 2025-08-31T10:09:39,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08 2025-08-31T10:09:39,335 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08 2025-08-31T10:09:39,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts 2025-08-31T10:09:39,339 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts 2025-08-31T10:09:39,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh 2025-08-31T10:09:39,344 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh 2025-08-31T10:09:39,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc 2025-08-31T10:09:39,348 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc 2025-08-31T10:09:39,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7 2025-08-31T10:09:39,352 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7 2025-08-31T10:09:39,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06 2025-08-31T10:09:39,356 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06 2025-08-31T10:09:39,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O 2025-08-31T10:09:39,361 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O 2025-08-31T10:09:39,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07 2025-08-31T10:09:39,365 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07 2025-08-31T10:09:39,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts 2025-08-31T10:09:39,369 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts 2025-08-31T10:09:39,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21 2025-08-31T10:09:39,374 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21 2025-08-31T10:09:39,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf 2025-08-31T10:09:39,378 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf 2025-08-31T10:09:39,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts 2025-08-31T10:09:39,383 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts 2025-08-31T10:09:39,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22 2025-08-31T10:09:39,387 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22 2025-08-31T10:09:39,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13 2025-08-31T10:09:39,391 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13 2025-08-31T10:09:39,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts 2025-08-31T10:09:39,395 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts 2025-08-31T10:09:39,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5 2025-08-31T10:09:39,399 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5 2025-08-31T10:09:39,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1 2025-08-31T10:09:39,403 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1 2025-08-31T10:09:39,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2 2025-08-31T10:09:39,407 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2 2025-08-31T10:09:39,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12 2025-08-31T10:09:39,411 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12 2025-08-31T10:09:39,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh- 2025-08-31T10:09:39,416 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh- 2025-08-31T10:09:39,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco 2025-08-31T10:09:39,419 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco 2025-08-31T10:09:39,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf 2025-08-31T10:09:39,423 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf 2025-08-31T10:09:39,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2 2025-08-31T10:09:39,426 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2 2025-08-31T10:09:39,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4 2025-08-31T10:09:39,430 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4 2025-08-31T10:09:39,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts 2025-08-31T10:09:39,433 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts 2025-08-31T10:09:39,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2 2025-08-31T10:09:39,436 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2 2025-08-31T10:09:39,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp 2025-08-31T10:09:39,440 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp 2025-08-31T10:09:39,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH 2025-08-31T10:09:39,443 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH 2025-08-31T10:09:39,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f 2025-08-31T10:09:39,447 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f 2025-08-31T10:09:39,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts 2025-08-31T10:09:39,450 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts 2025-08-31T10:09:39,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2 2025-08-31T10:09:39,454 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2 2025-08-31T10:09:39,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11 2025-08-31T10:09:39,457 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11 2025-08-31T10:09:39,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03 2025-08-31T10:09:39,461 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03 2025-08-31T10:09:39,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20 2025-08-31T10:09:39,464 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20 2025-08-31T10:09:39,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17 2025-08-31T10:09:39,468 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17 2025-08-31T10:09:39,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15 2025-08-31T10:09:39,471 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15 2025-08-31T10:09:39,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3 2025-08-31T10:09:39,475 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3 2025-08-31T10:09:39,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts 2025-08-31T10:09:39,478 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts 2025-08-31T10:09:39,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts 2025-08-31T10:09:39,481 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts 2025-08-31T10:09:39,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8 2025-08-31T10:09:39,485 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8 2025-08-31T10:09:39,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4 2025-08-31T10:09:39,488 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4 2025-08-31T10:09:39,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1 2025-08-31T10:09:39,492 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1 2025-08-31T10:09:39,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts 2025-08-31T10:09:39,495 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts 2025-08-31T10:09:39,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01 2025-08-31T10:09:39,499 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01 2025-08-31T10:09:39,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2 2025-08-31T10:09:39,502 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2 2025-08-31T10:09:39,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl- 2025-08-31T10:09:39,506 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl- 2025-08-31T10:09:39,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05 2025-08-31T10:09:39,510 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05 2025-08-31T10:09:39,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H 2025-08-31T10:09:39,513 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H 2025-08-31T10:09:39,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19 2025-08-31T10:09:39,517 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19 2025-08-31T10:09:39,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh 2025-08-31T10:09:39,520 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh 2025-08-31T10:09:39,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2 2025-08-31T10:09:39,523 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2 2025-08-31T10:09:39,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3 2025-08-31T10:09:39,527 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3 2025-08-31T10:09:39,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6 2025-08-31T10:09:39,530 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6 2025-08-31T10:09:39,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co 2025-08-31T10:09:39,534 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co 2025-08-31T10:09:39,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS 2025-08-31T10:09:39,537 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS 2025-08-31T10:09:39,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04 2025-08-31T10:09:39,540 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04 2025-08-31T10:09:39,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts 2025-08-31T10:09:39,544 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts 2025-08-31T10:09:39,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl 2025-08-31T10:09:39,548 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl 2025-08-31T10:09:39,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH 2025-08-31T10:09:39,551 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH 2025-08-31T10:09:39,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14 2025-08-31T10:09:39,554 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14 2025-08-31T10:09:39,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10 2025-08-31T10:09:39,558 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10 2025-08-31T10:09:39,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2 2025-08-31T10:09:39,561 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2 2025-08-31T10:09:39,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h 2025-08-31T10:09:39,565 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h 2025-08-31T10:09:39,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02 2025-08-31T10:09:39,568 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02 2025-08-31T10:09:39,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts 2025-08-31T10:09:39,572 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts 2025-08-31T10:09:39,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts 2025-08-31T10:09:39,576 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts 2025-08-31T10:09:39,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o 2025-08-31T10:09:39,579 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o 2025-08-31T10:09:39,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16 2025-08-31T10:09:39,583 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16 2025-08-31T10:09:39,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots 2025-08-31T10:09:39,587 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots 2025-08-31T10:09:39,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp 2025-08-31T10:09:39,590 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp 2025-08-31T10:09:39,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts 2025-08-31T10:09:39,594 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts 2025-08-31T10:09:39,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09 2025-08-31T10:09:39,598 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09 2025-08-31T10:09:39,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts 2025-08-31T10:09:39,603 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts 2025-08-31T10:09:39,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn 2025-08-31T10:09:39,606 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn 2025-08-31T10:09:39,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2 2025-08-31T10:09:39,610 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2 2025-08-31T10:09:39,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f 2025-08-31T10:09:39,613 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f 2025-08-31T10:09:39,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5 2025-08-31T10:09:39,617 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5 2025-08-31T10:09:39,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts 2025-08-31T10:09:39,621 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts 2025-08-31T10:09:39,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl 2025-08-31T10:09:39,624 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl 2025-08-31T10:09:39,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3 2025-08-31T10:09:39,628 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3 2025-08-31T10:09:39,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18 2025-08-31T10:09:39,632 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18 2025-08-31T10:09:39,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl 2025-08-31T10:09:39,635 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl 2025-08-31T10:09:39,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O 2025-08-31T10:09:39,639 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O 2025-08-31T10:09:39,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2 2025-08-31T10:09:39,643 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2 2025-08-31T10:09:39,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF 2025-08-31T10:09:39,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4 2025-08-31T10:09:39,648 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4 2025-08-31T10:09:39,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12 2025-08-31T10:09:39,652 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12 2025-08-31T10:09:39,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3 2025-08-31T10:09:39,655 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3 2025-08-31T10:09:39,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3 2025-08-31T10:09:39,659 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3 2025-08-31T10:09:39,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13 2025-08-31T10:09:39,662 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13 2025-08-31T10:09:39,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10 2025-08-31T10:09:39,666 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10 2025-08-31T10:09:39,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6 2025-08-31T10:09:39,670 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6 2025-08-31T10:09:39,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14 2025-08-31T10:09:39,675 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14 2025-08-31T10:09:39,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2 2025-08-31T10:09:39,678 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2 2025-08-31T10:09:39,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7 2025-08-31T10:09:39,682 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7 2025-08-31T10:09:39,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5 2025-08-31T10:09:39,686 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5 2025-08-31T10:09:39,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2 2025-08-31T10:09:39,690 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2 2025-08-31T10:09:39,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11 2025-08-31T10:09:39,694 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11 2025-08-31T10:09:39,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1 2025-08-31T10:09:39,697 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1 2025-08-31T10:09:39,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8 2025-08-31T10:09:39,701 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8 2025-08-31T10:09:39,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4 2025-08-31T10:09:39,705 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4 2025-08-31T10:09:39,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1 2025-08-31T10:09:39,709 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1 2025-08-31T10:09:39,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15 2025-08-31T10:09:39,713 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15 2025-08-31T10:09:39,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9 2025-08-31T10:09:39,716 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9 2025-08-31T10:09:39,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI 2025-08-31T10:09:39,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene 2025-08-31T10:09:39,722 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene 2025-08-31T10:09:39,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r 2025-08-31T10:09:39,726 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r 2025-08-31T10:09:39,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2 2025-08-31T10:09:39,729 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2 2025-08-31T10:09:39,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7 2025-08-31T10:09:39,733 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7 2025-08-31T10:09:39,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts 2025-08-31T10:09:39,757 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts 2025-08-31T10:09:39,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a 2025-08-31T10:09:39,761 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a 2025-08-31T10:09:39,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts 2025-08-31T10:09:39,765 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts 2025-08-31T10:09:39,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7 2025-08-31T10:09:39,769 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7 2025-08-31T10:09:39,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane 2025-08-31T10:09:39,772 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane 2025-08-31T10:09:39,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5 2025-08-31T10:09:39,776 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5 2025-08-31T10:09:39,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene 2025-08-31T10:09:39,779 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene 2025-08-31T10:09:39,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3 2025-08-31T10:09:39,783 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3 2025-08-31T10:09:39,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11 2025-08-31T10:09:39,786 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11 2025-08-31T10:09:39,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a 2025-08-31T10:09:39,789 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a 2025-08-31T10:09:39,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a 2025-08-31T10:09:39,793 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a 2025-08-31T10:09:39,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5 2025-08-31T10:09:39,796 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5 2025-08-31T10:09:39,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r 2025-08-31T10:09:39,799 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r 2025-08-31T10:09:39,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r 2025-08-31T10:09:39,802 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r 2025-08-31T10:09:39,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6 2025-08-31T10:09:39,806 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6 2025-08-31T10:09:39,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2025-08-31T10:09:39,809 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2025-08-31T10:09:39,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1 2025-08-31T10:09:39,812 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1 2025-08-31T10:09:39,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10 2025-08-31T10:09:39,815 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10 2025-08-31T10:09:39,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9 2025-08-31T10:09:39,819 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9 2025-08-31T10:09:39,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene 2025-08-31T10:09:39,822 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene 2025-08-31T10:09:39,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a 2025-08-31T10:09:39,825 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a 2025-08-31T10:09:39,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a 2025-08-31T10:09:39,829 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a 2025-08-31T10:09:39,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts 2025-08-31T10:09:39,832 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts 2025-08-31T10:09:39,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2025-08-31T10:09:39,836 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2025-08-31T10:09:39,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6 2025-08-31T10:09:39,839 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6 2025-08-31T10:09:39,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene 2025-08-31T10:09:39,843 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene 2025-08-31T10:09:39,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2025-08-31T10:09:39,846 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2025-08-31T10:09:39,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2025-08-31T10:09:39,850 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2025-08-31T10:09:39,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a 2025-08-31T10:09:39,853 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a 2025-08-31T10:09:39,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2025-08-31T10:09:39,857 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2025-08-31T10:09:39,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4 2025-08-31T10:09:39,860 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4 2025-08-31T10:09:39,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a 2025-08-31T10:09:39,864 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a 2025-08-31T10:09:39,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene 2025-08-31T10:09:39,867 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene 2025-08-31T10:09:39,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1 2025-08-31T10:09:39,871 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1 2025-08-31T10:09:39,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r 2025-08-31T10:09:39,874 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r 2025-08-31T10:09:39,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8 2025-08-31T10:09:39,878 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8 2025-08-31T10:09:39,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts 2025-08-31T10:09:39,882 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts 2025-08-31T10:09:39,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts 2025-08-31T10:09:39,885 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts 2025-08-31T10:09:39,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r 2025-08-31T10:09:39,888 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r 2025-08-31T10:09:39,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r 2025-08-31T10:09:39,892 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r 2025-08-31T10:09:39,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts 2025-08-31T10:09:39,895 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts 2025-08-31T10:09:39,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4 2025-08-31T10:09:39,899 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4 2025-08-31T10:09:39,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9 2025-08-31T10:09:39,902 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9 2025-08-31T10:09:39,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3 2025-08-31T10:09:39,906 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3 2025-08-31T10:09:39,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r 2025-08-31T10:09:39,910 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r 2025-08-31T10:09:39,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts 2025-08-31T10:09:39,918 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts 2025-08-31T10:09:39,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene 2025-08-31T10:09:39,927 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene 2025-08-31T10:09:39,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene 2025-08-31T10:09:39,930 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene 2025-08-31T10:09:39,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts 2025-08-31T10:09:39,934 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts 2025-08-31T10:09:39,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8 2025-08-31T10:09:39,937 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8 2025-08-31T10:09:39,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a 2025-08-31T10:09:39,941 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a 2025-08-31T10:09:39,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4 2025-08-31T10:09:39,944 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4 2025-08-31T10:09:39,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2 2025-08-31T10:09:39,948 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2 2025-08-31T10:09:39,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts 2025-08-31T10:09:39,952 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts 2025-08-31T10:09:39,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene 2025-08-31T10:09:39,956 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene 2025-08-31T10:09:39,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a 2025-08-31T10:09:39,960 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a 2025-08-31T10:09:39,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r 2025-08-31T10:09:39,963 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r 2025-08-31T10:09:39,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76 2025-08-31T10:09:39,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f- 2025-08-31T10:09:39,970 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f- 2025-08-31T10:09:39,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S 2025-08-31T10:09:39,973 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S 2025-08-31T10:09:39,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08 2025-08-31T10:09:39,977 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08 2025-08-31T10:09:39,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts 2025-08-31T10:09:39,980 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts 2025-08-31T10:09:39,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh 2025-08-31T10:09:39,984 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh 2025-08-31T10:09:39,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc 2025-08-31T10:09:39,987 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc 2025-08-31T10:09:39,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7 2025-08-31T10:09:39,991 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7 2025-08-31T10:09:39,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06 2025-08-31T10:09:39,995 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06 2025-08-31T10:09:39,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O 2025-08-31T10:09:39,998 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O 2025-08-31T10:09:40,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07 2025-08-31T10:09:40,002 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07 2025-08-31T10:09:40,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts 2025-08-31T10:09:40,005 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts 2025-08-31T10:09:40,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21 2025-08-31T10:09:40,010 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21 2025-08-31T10:09:40,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf 2025-08-31T10:09:40,015 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf 2025-08-31T10:09:40,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts 2025-08-31T10:09:40,019 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts 2025-08-31T10:09:40,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22 2025-08-31T10:09:40,025 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22 2025-08-31T10:09:40,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13 2025-08-31T10:09:40,032 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13 2025-08-31T10:09:40,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts 2025-08-31T10:09:40,041 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts 2025-08-31T10:09:40,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5 2025-08-31T10:09:40,045 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5 2025-08-31T10:09:40,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1 2025-08-31T10:09:40,049 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1 2025-08-31T10:09:40,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2 2025-08-31T10:09:40,052 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2 2025-08-31T10:09:40,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12 2025-08-31T10:09:40,056 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12 2025-08-31T10:09:40,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh- 2025-08-31T10:09:40,059 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh- 2025-08-31T10:09:40,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco 2025-08-31T10:09:40,063 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco 2025-08-31T10:09:40,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf 2025-08-31T10:09:40,066 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf 2025-08-31T10:09:40,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2 2025-08-31T10:09:40,069 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2 2025-08-31T10:09:40,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4 2025-08-31T10:09:40,073 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4 2025-08-31T10:09:40,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts 2025-08-31T10:09:40,076 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts 2025-08-31T10:09:40,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2 2025-08-31T10:09:40,080 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2 2025-08-31T10:09:40,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp 2025-08-31T10:09:40,083 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp 2025-08-31T10:09:40,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH 2025-08-31T10:09:40,087 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH 2025-08-31T10:09:40,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f 2025-08-31T10:09:40,090 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f 2025-08-31T10:09:40,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts 2025-08-31T10:09:40,093 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts 2025-08-31T10:09:40,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2 2025-08-31T10:09:40,097 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2 2025-08-31T10:09:40,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11 2025-08-31T10:09:40,100 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11 2025-08-31T10:09:40,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03 2025-08-31T10:09:40,104 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03 2025-08-31T10:09:40,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20 2025-08-31T10:09:40,107 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20 2025-08-31T10:09:40,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17 2025-08-31T10:09:40,111 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17 2025-08-31T10:09:40,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15 2025-08-31T10:09:40,114 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15 2025-08-31T10:09:40,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3 2025-08-31T10:09:40,117 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3 2025-08-31T10:09:40,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts 2025-08-31T10:09:40,121 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts 2025-08-31T10:09:40,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts 2025-08-31T10:09:40,125 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts 2025-08-31T10:09:40,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8 2025-08-31T10:09:40,129 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8 2025-08-31T10:09:40,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4 2025-08-31T10:09:40,132 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4 2025-08-31T10:09:40,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1 2025-08-31T10:09:40,136 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1 2025-08-31T10:09:40,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts 2025-08-31T10:09:40,139 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts 2025-08-31T10:09:40,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01 2025-08-31T10:09:40,143 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01 2025-08-31T10:09:40,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2 2025-08-31T10:09:40,147 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2 2025-08-31T10:09:40,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl- 2025-08-31T10:09:40,151 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl- 2025-08-31T10:09:40,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05 2025-08-31T10:09:40,154 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05 2025-08-31T10:09:40,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H 2025-08-31T10:09:40,158 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H 2025-08-31T10:09:40,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19 2025-08-31T10:09:40,161 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19 2025-08-31T10:09:40,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh 2025-08-31T10:09:40,165 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh 2025-08-31T10:09:40,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2 2025-08-31T10:09:40,168 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2 2025-08-31T10:09:40,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3 2025-08-31T10:09:40,171 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3 2025-08-31T10:09:40,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6 2025-08-31T10:09:40,175 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6 2025-08-31T10:09:40,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co 2025-08-31T10:09:40,178 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co 2025-08-31T10:09:40,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS 2025-08-31T10:09:40,181 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS 2025-08-31T10:09:40,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04 2025-08-31T10:09:40,184 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04 2025-08-31T10:09:40,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts 2025-08-31T10:09:40,187 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts 2025-08-31T10:09:40,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl 2025-08-31T10:09:40,191 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl 2025-08-31T10:09:40,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH 2025-08-31T10:09:40,194 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH 2025-08-31T10:09:40,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14 2025-08-31T10:09:40,197 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14 2025-08-31T10:09:40,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10 2025-08-31T10:09:40,201 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10 2025-08-31T10:09:40,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2 2025-08-31T10:09:40,204 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2 2025-08-31T10:09:40,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h 2025-08-31T10:09:40,208 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h 2025-08-31T10:09:40,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02 2025-08-31T10:09:40,211 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02 2025-08-31T10:09:40,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts 2025-08-31T10:09:40,214 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts 2025-08-31T10:09:40,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts 2025-08-31T10:09:40,218 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts 2025-08-31T10:09:40,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o 2025-08-31T10:09:40,221 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o 2025-08-31T10:09:40,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16 2025-08-31T10:09:40,224 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16 2025-08-31T10:09:40,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots 2025-08-31T10:09:40,227 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots 2025-08-31T10:09:40,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp 2025-08-31T10:09:40,231 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp 2025-08-31T10:09:40,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts 2025-08-31T10:09:40,234 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts 2025-08-31T10:09:40,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09 2025-08-31T10:09:40,237 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09 2025-08-31T10:09:40,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts 2025-08-31T10:09:40,241 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts 2025-08-31T10:09:40,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn 2025-08-31T10:09:40,244 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn 2025-08-31T10:09:40,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2 2025-08-31T10:09:40,247 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2 2025-08-31T10:09:40,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f 2025-08-31T10:09:40,250 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f 2025-08-31T10:09:40,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5 2025-08-31T10:09:40,254 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5 2025-08-31T10:09:40,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts 2025-08-31T10:09:40,257 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts 2025-08-31T10:09:40,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl 2025-08-31T10:09:40,260 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl 2025-08-31T10:09:40,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3 2025-08-31T10:09:40,264 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3 2025-08-31T10:09:40,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18 2025-08-31T10:09:40,267 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18 2025-08-31T10:09:40,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl 2025-08-31T10:09:40,270 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl 2025-08-31T10:09:40,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O 2025-08-31T10:09:40,274 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O 2025-08-31T10:09:40,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2 2025-08-31T10:09:40,277 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2 2025-08-31T10:09:40,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21 2025-08-31T10:09:40,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab 2025-08-31T10:09:40,282 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab 2025-08-31T10:09:40,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII 2025-08-31T10:09:40,286 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII 2025-08-31T10:09:40,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444 2025-08-31T10:09:40,290 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444 2025-08-31T10:09:40,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII 2025-08-31T10:09:40,294 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII 2025-08-31T10:09:40,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691 2025-08-31T10:09:40,298 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691 2025-08-31T10:09:40,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114 2025-08-31T10:09:40,302 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114 2025-08-31T10:09:40,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR 2025-08-31T10:09:40,305 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR 2025-08-31T10:09:40,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b 2025-08-31T10:09:40,309 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b 2025-08-31T10:09:40,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470 2025-08-31T10:09:40,312 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470 2025-08-31T10:09:40,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412 2025-08-31T10:09:40,316 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412 2025-08-31T10:09:40,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR 2025-08-31T10:09:40,319 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR 2025-08-31T10:09:40,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99 2025-08-31T10:09:40,323 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99 2025-08-31T10:09:40,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357 2025-08-31T10:09:40,327 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357 2025-08-31T10:09:40,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300 2025-08-31T10:09:40,330 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300 2025-08-31T10:09:40,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366 2025-08-31T10:09:40,334 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366 2025-08-31T10:09:40,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215 2025-08-31T10:09:40,337 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215 2025-08-31T10:09:40,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b 2025-08-31T10:09:40,341 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b 2025-08-31T10:09:40,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL 2025-08-31T10:09:40,345 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL 2025-08-31T10:09:40,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224 2025-08-31T10:09:40,348 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224 2025-08-31T10:09:40,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab 2025-08-31T10:09:40,352 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab 2025-08-31T10:09:40,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL 2025-08-31T10:09:40,355 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL 2025-08-31T10:09:40,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59 2025-08-31T10:09:40,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl 2025-08-31T10:09:40,362 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl 2025-08-31T10:09:40,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI 2025-08-31T10:09:40,366 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI 2025-08-31T10:09:40,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA 2025-08-31T10:09:40,369 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA 2025-08-31T10:09:40,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA 2025-08-31T10:09:40,373 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA 2025-08-31T10:09:40,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA 2025-08-31T10:09:40,377 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA 2025-08-31T10:09:40,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2 2025-08-31T10:09:40,380 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2 2025-08-31T10:09:40,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr 2025-08-31T10:09:40,384 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr 2025-08-31T10:09:40,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS 2025-08-31T10:09:40,388 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS 2025-08-31T10:09:40,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI 2025-08-31T10:09:40,392 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI 2025-08-31T10:09:40,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB 2025-08-31T10:09:40,395 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB 2025-08-31T10:09:40,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B 2025-08-31T10:09:40,399 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B 2025-08-31T10:09:40,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB 2025-08-31T10:09:40,403 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB 2025-08-31T10:09:40,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA 2025-08-31T10:09:40,406 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA 2025-08-31T10:09:40,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB 2025-08-31T10:09:40,410 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB 2025-08-31T10:09:40,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA 2025-08-31T10:09:40,413 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA 2025-08-31T10:09:40,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB 2025-08-31T10:09:40,416 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB 2025-08-31T10:09:40,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3 2025-08-31T10:09:40,420 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3 2025-08-31T10:09:40,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB 2025-08-31T10:09:40,423 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB 2025-08-31T10:09:40,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB 2025-08-31T10:09:40,426 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB 2025-08-31T10:09:40,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB 2025-08-31T10:09:40,430 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB 2025-08-31T10:09:40,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH 2025-08-31T10:09:40,433 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH 2025-08-31T10:09:40,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe 2025-08-31T10:09:40,437 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe 2025-08-31T10:09:40,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH 2025-08-31T10:09:40,440 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH 2025-08-31T10:09:40,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA 2025-08-31T10:09:40,443 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA 2025-08-31T10:09:40,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr 2025-08-31T10:09:40,446 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr 2025-08-31T10:09:40,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr 2025-08-31T10:09:40,450 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr 2025-08-31T10:09:40,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A 2025-08-31T10:09:40,453 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A 2025-08-31T10:09:40,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr 2025-08-31T10:09:40,457 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr 2025-08-31T10:09:40,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2 2025-08-31T10:09:40,460 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2 2025-08-31T10:09:40,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B 2025-08-31T10:09:40,464 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B 2025-08-31T10:09:40,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3 2025-08-31T10:09:40,467 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3 2025-08-31T10:09:40,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH 2025-08-31T10:09:40,471 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH 2025-08-31T10:09:40,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS 2025-08-31T10:09:40,474 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS 2025-08-31T10:09:40,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl 2025-08-31T10:09:40,477 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl 2025-08-31T10:09:40,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB 2025-08-31T10:09:40,481 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB 2025-08-31T10:09:40,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH 2025-08-31T10:09:40,484 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH 2025-08-31T10:09:40,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3 2025-08-31T10:09:40,488 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3 2025-08-31T10:09:40,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe 2025-08-31T10:09:40,491 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe 2025-08-31T10:09:40,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr 2025-08-31T10:09:40,494 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr 2025-08-31T10:09:40,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A 2025-08-31T10:09:40,498 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A 2025-08-31T10:09:40,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr 2025-08-31T10:09:40,501 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr 2025-08-31T10:09:40,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB 2025-08-31T10:09:40,505 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB 2025-08-31T10:09:40,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI 2025-08-31T10:09:40,508 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI 2025-08-31T10:09:40,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB 2025-08-31T10:09:40,512 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB 2025-08-31T10:09:40,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB 2025-08-31T10:09:40,515 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB 2025-08-31T10:09:40,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI 2025-08-31T10:09:40,518 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI 2025-08-31T10:09:40,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH 2025-08-31T10:09:40,521 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH 2025-08-31T10:09:40,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA 2025-08-31T10:09:40,524 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA 2025-08-31T10:09:40,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB 2025-08-31T10:09:40,528 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB 2025-08-31T10:09:40,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH 2025-08-31T10:09:40,531 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH 2025-08-31T10:09:40,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB 2025-08-31T10:09:40,535 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB 2025-08-31T10:09:40,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS 2025-08-31T10:09:40,538 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS 2025-08-31T10:09:40,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3 2025-08-31T10:09:40,542 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3 2025-08-31T10:09:40,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI 2025-08-31T10:09:40,545 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI 2025-08-31T10:09:40,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA 2025-08-31T10:09:40,548 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA 2025-08-31T10:09:40,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH 2025-08-31T10:09:40,552 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH 2025-08-31T10:09:40,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA 2025-08-31T10:09:40,555 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA 2025-08-31T10:09:40,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS 2025-08-31T10:09:40,558 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS 2025-08-31T10:09:40,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe 2025-08-31T10:09:40,561 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe 2025-08-31T10:09:40,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB 2025-08-31T10:09:40,565 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB 2025-08-31T10:09:40,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB 2025-08-31T10:09:40,568 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB 2025-08-31T10:09:40,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB 2025-08-31T10:09:40,571 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB 2025-08-31T10:09:40,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3 2025-08-31T10:09:40,575 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3 2025-08-31T10:09:40,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH 2025-08-31T10:09:40,578 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH 2025-08-31T10:09:40,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI 2025-08-31T10:09:40,582 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI 2025-08-31T10:09:40,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH 2025-08-31T10:09:40,585 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH 2025-08-31T10:09:40,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl 2025-08-31T10:09:40,589 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl 2025-08-31T10:09:40,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr 2025-08-31T10:09:40,592 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr 2025-08-31T10:09:40,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH 2025-08-31T10:09:40,596 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH 2025-08-31T10:09:40,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB 2025-08-31T10:09:40,599 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB 2025-08-31T10:09:40,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A 2025-08-31T10:09:40,603 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A 2025-08-31T10:09:40,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB 2025-08-31T10:09:40,607 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB 2025-08-31T10:09:40,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA 2025-08-31T10:09:40,610 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA 2025-08-31T10:09:40,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B 2025-08-31T10:09:40,614 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B 2025-08-31T10:09:40,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS 2025-08-31T10:09:40,618 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS 2025-08-31T10:09:40,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr 2025-08-31T10:09:40,621 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr 2025-08-31T10:09:40,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB 2025-08-31T10:09:40,625 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB 2025-08-31T10:09:40,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2 2025-08-31T10:09:40,628 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2 2025-08-31T10:09:40,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2 2025-08-31T10:09:40,631 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2 2025-08-31T10:09:40,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS 2025-08-31T10:09:40,634 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS 2025-08-31T10:09:40,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl 2025-08-31T10:09:40,638 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl 2025-08-31T10:09:40,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr 2025-08-31T10:09:40,641 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr 2025-08-31T10:09:40,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS 2025-08-31T10:09:40,645 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS 2025-08-31T10:09:40,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB 2025-08-31T10:09:40,648 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB 2025-08-31T10:09:40,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB 2025-08-31T10:09:40,652 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB 2025-08-31T10:09:40,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB 2025-08-31T10:09:40,655 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB 2025-08-31T10:09:40,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3 2025-08-31T10:09:40,659 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3 2025-08-31T10:09:40,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr 2025-08-31T10:09:40,662 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr 2025-08-31T10:09:40,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI 2025-08-31T10:09:40,666 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI 2025-08-31T10:09:40,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB 2025-08-31T10:09:40,669 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB 2025-08-31T10:09:40,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe 2025-08-31T10:09:40,673 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe 2025-08-31T10:09:40,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3 2025-08-31T10:09:40,676 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3 2025-08-31T10:09:40,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI 2025-08-31T10:09:40,679 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI 2025-08-31T10:09:40,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS 2025-08-31T10:09:40,682 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS 2025-08-31T10:09:40,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA 2025-08-31T10:09:40,686 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA 2025-08-31T10:09:40,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI 2025-08-31T10:09:40,689 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI 2025-08-31T10:09:40,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI 2025-08-31T10:09:40,693 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI 2025-08-31T10:09:40,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB 2025-08-31T10:09:40,696 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB 2025-08-31T10:09:40,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3 2025-08-31T10:09:40,700 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3 2025-08-31T10:09:40,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr 2025-08-31T10:09:40,703 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr 2025-08-31T10:09:40,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr 2025-08-31T10:09:40,707 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr 2025-08-31T10:09:40,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB 2025-08-31T10:09:40,710 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB 2025-08-31T10:09:40,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr 2025-08-31T10:09:40,714 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr 2025-08-31T10:09:40,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH 2025-08-31T10:09:40,717 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH 2025-08-31T10:09:40,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH 2025-08-31T10:09:40,720 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH 2025-08-31T10:09:40,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26 2025-08-31T10:09:40,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G 2025-08-31T10:09:40,726 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G 2025-08-31T10:09:40,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp 2025-08-31T10:09:40,729 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp 2025-08-31T10:09:40,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp 2025-08-31T10:09:40,733 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp 2025-08-31T10:09:40,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp 2025-08-31T10:09:40,736 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp 2025-08-31T10:09:40,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol 2025-08-31T10:09:40,739 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol 2025-08-31T10:09:40,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6 2025-08-31T10:09:40,743 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6 2025-08-31T10:09:40,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp 2025-08-31T10:09:40,746 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp 2025-08-31T10:09:40,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A 2025-08-31T10:09:40,750 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A 2025-08-31T10:09:40,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp 2025-08-31T10:09:40,753 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp 2025-08-31T10:09:40,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol 2025-08-31T10:09:40,757 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol 2025-08-31T10:09:40,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o 2025-08-31T10:09:40,760 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o 2025-08-31T10:09:40,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp 2025-08-31T10:09:40,763 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp 2025-08-31T10:09:40,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh 2025-08-31T10:09:40,766 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh 2025-08-31T10:09:40,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p 2025-08-31T10:09:40,770 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p 2025-08-31T10:09:40,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3 2025-08-31T10:09:40,773 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3 2025-08-31T10:09:40,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p 2025-08-31T10:09:40,776 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p 2025-08-31T10:09:40,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p 2025-08-31T10:09:40,780 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p 2025-08-31T10:09:40,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4 2025-08-31T10:09:40,783 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4 2025-08-31T10:09:40,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap 2025-08-31T10:09:40,786 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap 2025-08-31T10:09:40,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4 2025-08-31T10:09:40,790 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4 2025-08-31T10:09:40,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2 2025-08-31T10:09:40,793 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2 2025-08-31T10:09:40,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8 2025-08-31T10:09:40,797 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8 2025-08-31T10:09:40,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p 2025-08-31T10:09:40,800 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p 2025-08-31T10:09:40,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3 2025-08-31T10:09:40,803 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3 2025-08-31T10:09:40,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6 2025-08-31T10:09:40,806 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6 2025-08-31T10:09:40,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p 2025-08-31T10:09:40,810 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p 2025-08-31T10:09:40,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly 2025-08-31T10:09:40,813 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly 2025-08-31T10:09:40,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p 2025-08-31T10:09:40,817 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p 2025-08-31T10:09:40,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp 2025-08-31T10:09:40,821 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp 2025-08-31T10:09:40,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p 2025-08-31T10:09:40,824 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p 2025-08-31T10:09:40,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p 2025-08-31T10:09:40,828 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p 2025-08-31T10:09:40,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass 2025-08-31T10:09:40,831 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass 2025-08-31T10:09:40,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s 2025-08-31T10:09:40,835 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s 2025-08-31T10:09:40,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol 2025-08-31T10:09:40,838 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol 2025-08-31T10:09:40,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T 2025-08-31T10:09:40,842 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T 2025-08-31T10:09:40,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp 2025-08-31T10:09:40,845 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp 2025-08-31T10:09:40,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys 2025-08-31T10:09:40,849 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys 2025-08-31T10:09:40,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op 2025-08-31T10:09:40,852 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op 2025-08-31T10:09:40,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp 2025-08-31T10:09:40,856 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp 2025-08-31T10:09:40,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp 2025-08-31T10:09:40,861 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp 2025-08-31T10:09:40,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp 2025-08-31T10:09:40,865 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp 2025-08-31T10:09:40,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2 2025-08-31T10:09:40,868 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2 2025-08-31T10:09:40,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p 2025-08-31T10:09:40,872 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p 2025-08-31T10:09:40,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C 2025-08-31T10:09:40,877 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C 2025-08-31T10:09:40,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp 2025-08-31T10:09:40,881 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp 2025-08-31T10:09:40,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p 2025-08-31T10:09:40,885 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p 2025-08-31T10:09:40,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s 2025-08-31T10:09:40,888 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s 2025-08-31T10:09:40,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp 2025-08-31T10:09:40,892 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp 2025-08-31T10:09:40,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6 2025-08-31T10:09:40,896 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6 2025-08-31T10:09:40,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p 2025-08-31T10:09:40,901 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p 2025-08-31T10:09:40,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl 2025-08-31T10:09:40,905 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl 2025-08-31T10:09:40,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2 2025-08-31T10:09:40,908 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2 2025-08-31T10:09:40,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66 2025-08-31T10:09:40,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B 2025-08-31T10:09:40,918 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B 2025-08-31T10:09:40,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02 2025-08-31T10:09:40,923 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02 2025-08-31T10:09:40,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B 2025-08-31T10:09:40,927 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B 2025-08-31T10:09:40,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A 2025-08-31T10:09:40,930 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A 2025-08-31T10:09:40,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54 2025-08-31T10:09:40,935 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54 2025-08-31T10:09:40,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B 2025-08-31T10:09:40,939 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B 2025-08-31T10:09:40,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A 2025-08-31T10:09:40,942 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A 2025-08-31T10:09:40,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B 2025-08-31T10:09:40,945 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B 2025-08-31T10:09:40,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A 2025-08-31T10:09:40,949 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A 2025-08-31T10:09:40,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A 2025-08-31T10:09:40,952 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A 2025-08-31T10:09:40,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23 2025-08-31T10:09:40,955 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23 2025-08-31T10:09:40,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A 2025-08-31T10:09:40,959 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A 2025-08-31T10:09:40,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08 2025-08-31T10:09:40,962 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08 2025-08-31T10:09:40,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A 2025-08-31T10:09:40,966 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A 2025-08-31T10:09:40,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B 2025-08-31T10:09:40,969 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B 2025-08-31T10:09:40,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B 2025-08-31T10:09:40,973 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B 2025-08-31T10:09:40,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B 2025-08-31T10:09:40,977 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B 2025-08-31T10:09:40,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B 2025-08-31T10:09:40,981 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B 2025-08-31T10:09:40,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A 2025-08-31T10:09:40,985 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A 2025-08-31T10:09:40,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A 2025-08-31T10:09:40,989 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A 2025-08-31T10:09:40,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A 2025-08-31T10:09:40,992 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A 2025-08-31T10:09:40,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B 2025-08-31T10:09:40,995 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B 2025-08-31T10:09:40,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30 2025-08-31T10:09:40,999 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30 2025-08-31T10:09:41,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64 2025-08-31T10:09:41,003 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64 2025-08-31T10:09:41,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57 2025-08-31T10:09:41,007 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57 2025-08-31T10:09:41,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B 2025-08-31T10:09:41,011 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B 2025-08-31T10:09:41,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A 2025-08-31T10:09:41,014 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A 2025-08-31T10:09:41,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A 2025-08-31T10:09:41,018 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A 2025-08-31T10:09:41,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A 2025-08-31T10:09:41,022 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A 2025-08-31T10:09:41,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B 2025-08-31T10:09:41,026 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B 2025-08-31T10:09:41,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B 2025-08-31T10:09:41,031 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B 2025-08-31T10:09:41,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56 2025-08-31T10:09:41,034 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56 2025-08-31T10:09:41,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B 2025-08-31T10:09:41,038 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B 2025-08-31T10:09:41,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B 2025-08-31T10:09:41,042 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B 2025-08-31T10:09:41,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B 2025-08-31T10:09:41,046 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B 2025-08-31T10:09:41,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60 2025-08-31T10:09:41,050 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60 2025-08-31T10:09:41,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B 2025-08-31T10:09:41,054 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B 2025-08-31T10:09:41,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61 2025-08-31T10:09:41,057 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61 2025-08-31T10:09:41,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29 2025-08-31T10:09:41,060 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29 2025-08-31T10:09:41,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06 2025-08-31T10:09:41,064 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06 2025-08-31T10:09:41,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A 2025-08-31T10:09:41,068 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A 2025-08-31T10:09:41,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A 2025-08-31T10:09:41,073 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A 2025-08-31T10:09:41,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42 2025-08-31T10:09:41,076 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42 2025-08-31T10:09:41,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B 2025-08-31T10:09:41,080 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B 2025-08-31T10:09:41,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A 2025-08-31T10:09:41,083 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A 2025-08-31T10:09:41,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10 2025-08-31T10:09:41,087 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10 2025-08-31T10:09:41,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A 2025-08-31T10:09:41,091 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A 2025-08-31T10:09:41,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34 2025-08-31T10:09:41,095 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34 2025-08-31T10:09:41,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A 2025-08-31T10:09:41,099 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A 2025-08-31T10:09:41,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A 2025-08-31T10:09:41,102 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A 2025-08-31T10:09:41,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B 2025-08-31T10:09:41,106 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B 2025-08-31T10:09:41,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A 2025-08-31T10:09:41,110 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A 2025-08-31T10:09:41,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A 2025-08-31T10:09:41,114 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A 2025-08-31T10:09:41,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22 2025-08-31T10:09:41,118 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22 2025-08-31T10:09:41,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A 2025-08-31T10:09:41,121 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A 2025-08-31T10:09:41,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18 2025-08-31T10:09:41,125 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18 2025-08-31T10:09:41,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16 2025-08-31T10:09:41,129 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16 2025-08-31T10:09:41,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B 2025-08-31T10:09:41,133 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B 2025-08-31T10:09:41,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A 2025-08-31T10:09:41,137 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A 2025-08-31T10:09:41,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52 2025-08-31T10:09:41,140 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52 2025-08-31T10:09:41,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04 2025-08-31T10:09:41,144 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04 2025-08-31T10:09:41,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59 2025-08-31T10:09:41,147 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59 2025-08-31T10:09:41,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37 2025-08-31T10:09:41,151 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37 2025-08-31T10:09:41,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B 2025-08-31T10:09:41,155 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B 2025-08-31T10:09:41,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B 2025-08-31T10:09:41,159 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B 2025-08-31T10:09:41,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40 2025-08-31T10:09:41,163 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40 2025-08-31T10:09:41,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B 2025-08-31T10:09:41,166 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B 2025-08-31T10:09:41,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09 2025-08-31T10:09:41,169 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09 2025-08-31T10:09:41,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B 2025-08-31T10:09:41,173 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B 2025-08-31T10:09:41,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A 2025-08-31T10:09:41,177 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A 2025-08-31T10:09:41,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28 2025-08-31T10:09:41,182 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28 2025-08-31T10:09:41,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36 2025-08-31T10:09:41,186 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36 2025-08-31T10:09:41,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A 2025-08-31T10:09:41,189 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A 2025-08-31T10:09:41,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47 2025-08-31T10:09:41,193 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47 2025-08-31T10:09:41,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A 2025-08-31T10:09:41,197 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A 2025-08-31T10:09:41,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A 2025-08-31T10:09:41,201 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A 2025-08-31T10:09:41,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B 2025-08-31T10:09:41,205 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B 2025-08-31T10:09:41,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B 2025-08-31T10:09:41,209 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B 2025-08-31T10:09:41,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A 2025-08-31T10:09:41,212 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A 2025-08-31T10:09:41,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B 2025-08-31T10:09:41,216 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B 2025-08-31T10:09:41,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B 2025-08-31T10:09:41,220 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B 2025-08-31T10:09:41,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21 2025-08-31T10:09:41,224 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21 2025-08-31T10:09:41,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A 2025-08-31T10:09:41,228 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A 2025-08-31T10:09:41,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65 2025-08-31T10:09:41,232 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65 2025-08-31T10:09:41,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66 2025-08-31T10:09:41,235 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66 2025-08-31T10:09:41,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B 2025-08-31T10:09:41,239 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B 2025-08-31T10:09:41,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B 2025-08-31T10:09:41,243 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B 2025-08-31T10:09:41,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13 2025-08-31T10:09:41,247 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13 2025-08-31T10:09:41,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B 2025-08-31T10:09:41,251 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B 2025-08-31T10:09:41,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B 2025-08-31T10:09:41,254 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B 2025-08-31T10:09:41,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58 2025-08-31T10:09:41,257 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58 2025-08-31T10:09:41,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25 2025-08-31T10:09:41,261 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25 2025-08-31T10:09:41,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B 2025-08-31T10:09:41,266 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B 2025-08-31T10:09:41,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32 2025-08-31T10:09:41,270 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32 2025-08-31T10:09:41,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A 2025-08-31T10:09:41,274 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A 2025-08-31T10:09:41,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A 2025-08-31T10:09:41,277 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A 2025-08-31T10:09:41,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A 2025-08-31T10:09:41,281 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A 2025-08-31T10:09:41,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A 2025-08-31T10:09:41,285 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A 2025-08-31T10:09:41,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B 2025-08-31T10:09:41,288 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B 2025-08-31T10:09:41,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A 2025-08-31T10:09:41,292 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A 2025-08-31T10:09:41,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B 2025-08-31T10:09:41,295 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B 2025-08-31T10:09:41,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41 2025-08-31T10:09:41,299 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41 2025-08-31T10:09:41,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14 2025-08-31T10:09:41,302 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14 2025-08-31T10:09:41,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A 2025-08-31T10:09:41,306 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A 2025-08-31T10:09:41,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A 2025-08-31T10:09:41,310 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A 2025-08-31T10:09:41,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A 2025-08-31T10:09:41,314 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A 2025-08-31T10:09:41,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A 2025-08-31T10:09:41,317 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A 2025-08-31T10:09:41,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A 2025-08-31T10:09:41,321 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A 2025-08-31T10:09:41,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15 2025-08-31T10:09:41,325 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15 2025-08-31T10:09:41,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A 2025-08-31T10:09:41,328 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A 2025-08-31T10:09:41,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B 2025-08-31T10:09:41,332 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B 2025-08-31T10:09:41,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A 2025-08-31T10:09:41,336 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A 2025-08-31T10:09:41,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38 2025-08-31T10:09:41,340 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38 2025-08-31T10:09:41,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24 2025-08-31T10:09:41,343 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24 2025-08-31T10:09:41,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B 2025-08-31T10:09:41,347 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B 2025-08-31T10:09:41,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B 2025-08-31T10:09:41,350 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B 2025-08-31T10:09:41,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B 2025-08-31T10:09:41,355 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B 2025-08-31T10:09:41,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A 2025-08-31T10:09:41,359 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A 2025-08-31T10:09:41,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B 2025-08-31T10:09:41,362 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B 2025-08-31T10:09:41,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19 2025-08-31T10:09:41,366 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19 2025-08-31T10:09:41,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01 2025-08-31T10:09:41,370 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01 2025-08-31T10:09:41,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B 2025-08-31T10:09:41,374 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B 2025-08-31T10:09:41,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A 2025-08-31T10:09:41,378 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A 2025-08-31T10:09:41,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A 2025-08-31T10:09:41,382 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A 2025-08-31T10:09:41,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31 2025-08-31T10:09:41,385 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31 2025-08-31T10:09:41,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45 2025-08-31T10:09:41,389 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45 2025-08-31T10:09:41,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B 2025-08-31T10:09:41,393 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B 2025-08-31T10:09:41,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50 2025-08-31T10:09:41,397 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50 2025-08-31T10:09:41,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B 2025-08-31T10:09:41,400 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B 2025-08-31T10:09:41,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26 2025-08-31T10:09:41,404 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26 2025-08-31T10:09:41,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A 2025-08-31T10:09:41,407 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A 2025-08-31T10:09:41,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B 2025-08-31T10:09:41,411 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B 2025-08-31T10:09:41,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B 2025-08-31T10:09:41,415 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B 2025-08-31T10:09:41,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46 2025-08-31T10:09:41,419 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46 2025-08-31T10:09:41,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A 2025-08-31T10:09:41,423 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A 2025-08-31T10:09:41,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03 2025-08-31T10:09:41,427 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03 2025-08-31T10:09:41,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B 2025-08-31T10:09:41,430 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B 2025-08-31T10:09:41,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B 2025-08-31T10:09:41,433 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B 2025-08-31T10:09:41,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20 2025-08-31T10:09:41,437 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20 2025-08-31T10:09:41,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B 2025-08-31T10:09:41,441 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B 2025-08-31T10:09:41,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B 2025-08-31T10:09:41,445 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B 2025-08-31T10:09:41,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B 2025-08-31T10:09:41,449 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B 2025-08-31T10:09:41,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43 2025-08-31T10:09:41,453 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43 2025-08-31T10:09:41,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B 2025-08-31T10:09:41,456 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B 2025-08-31T10:09:41,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44 2025-08-31T10:09:41,460 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44 2025-08-31T10:09:41,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A 2025-08-31T10:09:41,464 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A 2025-08-31T10:09:41,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A 2025-08-31T10:09:41,468 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A 2025-08-31T10:09:41,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A 2025-08-31T10:09:41,472 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A 2025-08-31T10:09:41,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A 2025-08-31T10:09:41,476 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A 2025-08-31T10:09:41,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A 2025-08-31T10:09:41,479 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A 2025-08-31T10:09:41,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A 2025-08-31T10:09:41,483 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A 2025-08-31T10:09:41,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A 2025-08-31T10:09:41,487 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A 2025-08-31T10:09:41,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B 2025-08-31T10:09:41,491 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B 2025-08-31T10:09:41,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B 2025-08-31T10:09:41,495 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B 2025-08-31T10:09:41,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A 2025-08-31T10:09:41,498 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A 2025-08-31T10:09:41,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B 2025-08-31T10:09:41,501 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B 2025-08-31T10:09:41,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A 2025-08-31T10:09:41,505 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A 2025-08-31T10:09:41,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B 2025-08-31T10:09:41,509 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B 2025-08-31T10:09:41,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33 2025-08-31T10:09:41,513 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33 2025-08-31T10:09:41,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12 2025-08-31T10:09:41,517 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12 2025-08-31T10:09:41,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53 2025-08-31T10:09:41,521 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53 2025-08-31T10:09:41,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A 2025-08-31T10:09:41,524 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A 2025-08-31T10:09:41,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17 2025-08-31T10:09:41,528 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17 2025-08-31T10:09:41,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55 2025-08-31T10:09:41,532 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55 2025-08-31T10:09:41,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B 2025-08-31T10:09:41,536 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B 2025-08-31T10:09:41,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35 2025-08-31T10:09:41,539 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35 2025-08-31T10:09:41,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A 2025-08-31T10:09:41,543 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A 2025-08-31T10:09:41,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B 2025-08-31T10:09:41,547 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B 2025-08-31T10:09:41,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B 2025-08-31T10:09:41,551 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B 2025-08-31T10:09:41,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A 2025-08-31T10:09:41,554 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A 2025-08-31T10:09:41,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B 2025-08-31T10:09:41,558 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B 2025-08-31T10:09:41,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51 2025-08-31T10:09:41,562 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51 2025-08-31T10:09:41,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A 2025-08-31T10:09:41,565 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A 2025-08-31T10:09:41,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B 2025-08-31T10:09:41,569 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B 2025-08-31T10:09:41,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A 2025-08-31T10:09:41,573 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A 2025-08-31T10:09:41,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39 2025-08-31T10:09:41,577 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39 2025-08-31T10:09:41,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49 2025-08-31T10:09:41,581 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49 2025-08-31T10:09:41,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A 2025-08-31T10:09:41,584 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A 2025-08-31T10:09:41,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A 2025-08-31T10:09:41,588 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A 2025-08-31T10:09:41,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05 2025-08-31T10:09:41,592 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05 2025-08-31T10:09:41,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B 2025-08-31T10:09:41,596 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B 2025-08-31T10:09:41,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B 2025-08-31T10:09:41,599 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B 2025-08-31T10:09:41,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B 2025-08-31T10:09:41,603 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B 2025-08-31T10:09:41,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B 2025-08-31T10:09:41,607 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B 2025-08-31T10:09:41,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48 2025-08-31T10:09:41,610 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48 2025-08-31T10:09:41,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63 2025-08-31T10:09:41,614 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63 2025-08-31T10:09:41,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B 2025-08-31T10:09:41,618 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B 2025-08-31T10:09:41,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07 2025-08-31T10:09:41,622 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07 2025-08-31T10:09:41,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B 2025-08-31T10:09:41,626 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B 2025-08-31T10:09:41,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62 2025-08-31T10:09:41,629 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62 2025-08-31T10:09:41,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A 2025-08-31T10:09:41,633 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A 2025-08-31T10:09:41,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B 2025-08-31T10:09:41,636 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B 2025-08-31T10:09:41,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A 2025-08-31T10:09:41,640 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A 2025-08-31T10:09:41,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A 2025-08-31T10:09:41,644 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A 2025-08-31T10:09:41,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A 2025-08-31T10:09:41,648 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A 2025-08-31T10:09:41,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11 2025-08-31T10:09:41,651 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11 2025-08-31T10:09:41,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A 2025-08-31T10:09:41,655 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A 2025-08-31T10:09:41,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27 2025-08-31T10:09:41,659 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27 2025-08-31T10:09:41,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13 2025-08-31T10:09:41,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip 2025-08-31T10:09:41,665 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip 2025-08-31T10:09:41,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add 2025-08-31T10:09:41,669 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add 2025-08-31T10:09:41,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl 2025-08-31T10:09:41,672 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl 2025-08-31T10:09:41,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb 2025-08-31T10:09:41,675 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb 2025-08-31T10:09:41,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2 2025-08-31T10:09:41,679 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2 2025-08-31T10:09:41,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2 2025-08-31T10:09:41,684 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2 2025-08-31T10:09:41,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8 2025-08-31T10:09:41,687 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8 2025-08-31T10:09:41,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35 2025-08-31T10:09:41,691 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35 2025-08-31T10:09:41,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene 2025-08-31T10:09:41,694 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene 2025-08-31T10:09:41,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be 2025-08-31T10:09:41,698 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be 2025-08-31T10:09:41,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1 2025-08-31T10:09:41,702 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1 2025-08-31T10:09:41,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen 2025-08-31T10:09:41,706 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen 2025-08-31T10:09:41,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3 2025-08-31T10:09:41,711 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3 2025-08-31T10:09:41,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6 2025-08-31T10:09:41,714 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6 2025-08-31T10:09:41,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2 2025-08-31T10:09:41,717 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2 2025-08-31T10:09:41,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4 2025-08-31T10:09:41,721 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4 2025-08-31T10:09:41,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4 2025-08-31T10:09:41,725 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4 2025-08-31T10:09:41,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2 2025-08-31T10:09:41,729 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2 2025-08-31T10:09:41,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6 2025-08-31T10:09:41,733 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6 2025-08-31T10:09:41,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35 2025-08-31T10:09:41,736 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35 2025-08-31T10:09:41,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen 2025-08-31T10:09:41,739 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen 2025-08-31T10:09:41,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2 2025-08-31T10:09:41,743 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2 2025-08-31T10:09:41,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne 2025-08-31T10:09:41,747 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne 2025-08-31T10:09:41,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36 2025-08-31T10:09:41,751 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36 2025-08-31T10:09:41,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36 2025-08-31T10:09:41,755 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36 2025-08-31T10:09:41,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add 2025-08-31T10:09:41,758 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add 2025-08-31T10:09:41,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage 2025-08-31T10:09:41,762 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage 2025-08-31T10:09:41,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1 2025-08-31T10:09:41,765 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1 2025-08-31T10:09:41,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL 2025-08-31T10:09:41,769 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL 2025-08-31T10:09:41,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41 2025-08-31T10:09:41,773 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41 2025-08-31T10:09:41,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,777 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,779 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,781 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_Amino20x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,783 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,785 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PArel.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,787 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,789 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,791 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,793 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,795 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,797 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,799 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,801 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,802 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ACONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,804 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,806 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,808 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,810 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,812 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,814 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,816 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,818 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,820 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BSR36.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,822 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,824 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S22.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,825 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,828 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,830 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,832 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CDIE20.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,834 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,836 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,838 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,840 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,842 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,843 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,845 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,851 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,854 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALK8.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,856 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,858 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_Amino20x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,860 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AL2X6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,862 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,864 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PArel.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,866 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,868 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,870 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,872 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,874 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISOL24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,876 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,878 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,880 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,882 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CARBHB12.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,884 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,886 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ACONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,888 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_C60ISO.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,890 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DARC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,892 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,894 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,896 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,898 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SCONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,900 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,902 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,904 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,905 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,908 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RC21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,910 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,912 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CHB6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,914 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IDISP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,916 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_NBPRC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,918 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DC13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,920 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,922 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BSR36.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,923 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,925 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_UPU23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,927 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ADIM6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,929 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SLIM05.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,932 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S22.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,933 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVYSB11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,935 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PCONF21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,937 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,939 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,941 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,943 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CDIE20.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,945 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,947 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,949 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,951 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,953 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,955 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MCONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,957 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,959 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,961 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2025-08-31T10:09:41,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05 2025-08-31T10:09:41,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:41,967 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:41,969 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:41,971 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:41,973 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:41,975 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:41,977 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:41,979 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:41,981 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:41,983 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:41,985 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:41,987 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:41,989 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:41,991 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:41,993 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:41,995 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:41,997 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:41,999 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:42,001 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:42,002 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:42,004 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:42,006 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:42,009 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2025-08-31T10:09:42,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES 2025-08-31T10:09:42,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6 2025-08-31T10:09:42,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3 2025-08-31T10:09:42,017 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3 2025-08-31T10:09:42,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6 2025-08-31T10:09:42,020 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6 2025-08-31T10:09:42,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2 2025-08-31T10:09:42,024 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2 2025-08-31T10:09:42,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6 2025-08-31T10:09:42,028 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6 2025-08-31T10:09:42,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6 2025-08-31T10:09:42,032 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6 2025-08-31T10:09:42,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3 2025-08-31T10:09:42,036 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3 2025-08-31T10:09:42,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6 2025-08-31T10:09:42,040 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6 2025-08-31T10:09:42,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4 2025-08-31T10:09:42,044 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4 2025-08-31T10:09:42,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5 2025-08-31T10:09:42,048 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5 2025-08-31T10:09:42,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3 2025-08-31T10:09:42,052 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3 2025-08-31T10:09:42,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3 2025-08-31T10:09:42,056 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3 2025-08-31T10:09:42,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP 2025-08-31T10:09:42,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137 2025-08-31T10:09:42,062 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137 2025-08-31T10:09:42,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+ 2025-08-31T10:09:42,065 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+ 2025-08-31T10:09:42,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+ 2025-08-31T10:09:42,069 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+ 2025-08-31T10:09:42,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74 2025-08-31T10:09:42,073 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74 2025-08-31T10:09:42,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71 2025-08-31T10:09:42,077 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71 2025-08-31T10:09:42,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79 2025-08-31T10:09:42,081 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79 2025-08-31T10:09:42,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80 2025-08-31T10:09:42,084 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80 2025-08-31T10:09:42,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p 2025-08-31T10:09:42,088 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p 2025-08-31T10:09:42,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8 2025-08-31T10:09:42,091 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8 2025-08-31T10:09:42,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76 2025-08-31T10:09:42,095 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76 2025-08-31T10:09:42,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30 2025-08-31T10:09:42,099 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30 2025-08-31T10:09:42,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al 2025-08-31T10:09:42,103 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al 2025-08-31T10:09:42,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+ 2025-08-31T10:09:42,107 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+ 2025-08-31T10:09:42,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c 2025-08-31T10:09:42,110 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c 2025-08-31T10:09:42,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be 2025-08-31T10:09:42,114 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be 2025-08-31T10:09:42,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+ 2025-08-31T10:09:42,118 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+ 2025-08-31T10:09:42,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n 2025-08-31T10:09:42,122 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n 2025-08-31T10:09:42,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+ 2025-08-31T10:09:42,125 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+ 2025-08-31T10:09:42,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64 2025-08-31T10:09:42,129 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64 2025-08-31T10:09:42,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34 2025-08-31T10:09:42,133 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34 2025-08-31T10:09:42,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s 2025-08-31T10:09:42,136 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s 2025-08-31T10:09:42,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+ 2025-08-31T10:09:42,140 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+ 2025-08-31T10:09:42,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75 2025-08-31T10:09:42,143 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75 2025-08-31T10:09:42,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59 2025-08-31T10:09:42,147 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59 2025-08-31T10:09:42,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73 2025-08-31T10:09:42,150 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73 2025-08-31T10:09:42,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22 2025-08-31T10:09:42,154 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22 2025-08-31T10:09:42,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18 2025-08-31T10:09:42,157 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18 2025-08-31T10:09:42,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37 2025-08-31T10:09:42,161 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37 2025-08-31T10:09:42,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+ 2025-08-31T10:09:42,164 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+ 2025-08-31T10:09:42,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72 2025-08-31T10:09:42,167 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72 2025-08-31T10:09:42,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67 2025-08-31T10:09:42,171 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67 2025-08-31T10:09:42,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68 2025-08-31T10:09:42,174 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68 2025-08-31T10:09:42,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+ 2025-08-31T10:09:42,178 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+ 2025-08-31T10:09:42,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o 2025-08-31T10:09:42,181 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o 2025-08-31T10:09:42,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13 2025-08-31T10:09:42,185 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13 2025-08-31T10:09:42,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25 2025-08-31T10:09:42,188 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25 2025-08-31T10:09:42,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77 2025-08-31T10:09:42,191 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77 2025-08-31T10:09:42,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14 2025-08-31T10:09:42,195 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14 2025-08-31T10:09:42,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg 2025-08-31T10:09:42,198 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg 2025-08-31T10:09:42,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19 2025-08-31T10:09:42,201 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19 2025-08-31T10:09:42,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+ 2025-08-31T10:09:42,204 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+ 2025-08-31T10:09:42,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60 2025-08-31T10:09:42,208 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60 2025-08-31T10:09:42,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+ 2025-08-31T10:09:42,211 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+ 2025-08-31T10:09:42,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45 2025-08-31T10:09:42,214 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45 2025-08-31T10:09:42,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26 2025-08-31T10:09:42,218 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26 2025-08-31T10:09:42,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl 2025-08-31T10:09:42,221 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl 2025-08-31T10:09:42,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78 2025-08-31T10:09:42,224 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78 2025-08-31T10:09:42,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b 2025-08-31T10:09:42,228 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b 2025-08-31T10:09:42,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li 2025-08-31T10:09:42,231 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li 2025-08-31T10:09:42,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20 2025-08-31T10:09:42,234 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20 2025-08-31T10:09:42,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66 2025-08-31T10:09:42,237 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66 2025-08-31T10:09:42,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43 2025-08-31T10:09:42,241 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43 2025-08-31T10:09:42,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44 2025-08-31T10:09:42,244 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44 2025-08-31T10:09:42,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62 2025-08-31T10:09:42,247 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62 2025-08-31T10:09:42,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h 2025-08-31T10:09:42,251 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h 2025-08-31T10:09:42,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+ 2025-08-31T10:09:42,255 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+ 2025-08-31T10:09:42,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na 2025-08-31T10:09:42,258 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na 2025-08-31T10:09:42,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65 2025-08-31T10:09:42,261 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65 2025-08-31T10:09:42,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+ 2025-08-31T10:09:42,265 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+ 2025-08-31T10:09:42,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61 2025-08-31T10:09:42,268 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61 2025-08-31T10:09:42,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si 2025-08-31T10:09:42,272 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si 2025-08-31T10:09:42,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12 2025-08-31T10:09:42,275 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12 2025-08-31T10:09:42,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63 2025-08-31T10:09:42,278 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63 2025-08-31T10:09:42,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70 2025-08-31T10:09:42,282 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70 2025-08-31T10:09:42,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51 2025-08-31T10:09:42,285 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51 2025-08-31T10:09:42,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f 2025-08-31T10:09:42,289 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f 2025-08-31T10:09:42,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+ 2025-08-31T10:09:42,292 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+ 2025-08-31T10:09:42,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48 2025-08-31T10:09:42,295 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48 2025-08-31T10:09:42,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65 2025-08-31T10:09:42,299 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65 2025-08-31T10:09:42,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11 2025-08-31T10:09:42,303 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11 2025-08-31T10:09:42,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+ 2025-08-31T10:09:42,307 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+ 2025-08-31T10:09:42,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27 2025-08-31T10:09:42,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans 2025-08-31T10:09:42,315 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans 2025-08-31T10:09:42,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180 2025-08-31T10:09:42,319 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180 2025-08-31T10:09:42,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans 2025-08-31T10:09:42,324 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans 2025-08-31T10:09:42,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120 2025-08-31T10:09:42,328 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120 2025-08-31T10:09:42,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis 2025-08-31T10:09:42,332 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis 2025-08-31T10:09:42,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2 2025-08-31T10:09:42,336 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2 2025-08-31T10:09:42,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2 2025-08-31T10:09:42,340 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2 2025-08-31T10:09:42,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn 2025-08-31T10:09:42,344 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn 2025-08-31T10:09:42,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis 2025-08-31T10:09:42,348 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis 2025-08-31T10:09:42,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis 2025-08-31T10:09:42,352 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis 2025-08-31T10:09:42,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2 2025-08-31T10:09:42,356 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2 2025-08-31T10:09:42,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1 2025-08-31T10:09:42,360 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1 2025-08-31T10:09:42,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS 2025-08-31T10:09:42,364 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS 2025-08-31T10:09:42,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti 2025-08-31T10:09:42,368 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti 2025-08-31T10:09:42,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl 2025-08-31T10:09:42,372 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl 2025-08-31T10:09:42,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2 2025-08-31T10:09:42,376 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2 2025-08-31T10:09:42,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180 2025-08-31T10:09:42,380 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180 2025-08-31T10:09:42,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st 2025-08-31T10:09:42,384 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st 2025-08-31T10:09:42,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0 2025-08-31T10:09:42,389 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0 2025-08-31T10:09:42,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1 2025-08-31T10:09:42,393 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1 2025-08-31T10:09:42,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0 2025-08-31T10:09:42,397 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0 2025-08-31T10:09:42,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans 2025-08-31T10:09:42,401 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans 2025-08-31T10:09:42,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn 2025-08-31T10:09:42,404 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn 2025-08-31T10:09:42,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl 2025-08-31T10:09:42,408 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl 2025-08-31T10:09:42,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1 2025-08-31T10:09:42,412 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1 2025-08-31T10:09:42,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2 2025-08-31T10:09:42,416 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2 2025-08-31T10:09:42,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1 2025-08-31T10:09:42,420 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1 2025-08-31T10:09:42,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS 2025-08-31T10:09:42,424 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS 2025-08-31T10:09:42,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl 2025-08-31T10:09:42,428 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl 2025-08-31T10:09:42,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2 2025-08-31T10:09:42,432 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2 2025-08-31T10:09:42,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1 2025-08-31T10:09:42,436 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1 2025-08-31T10:09:42,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st 2025-08-31T10:09:42,440 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st 2025-08-31T10:09:42,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl 2025-08-31T10:09:42,444 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl 2025-08-31T10:09:42,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl 2025-08-31T10:09:42,448 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl 2025-08-31T10:09:42,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st 2025-08-31T10:09:42,452 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st 2025-08-31T10:09:42,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti 2025-08-31T10:09:42,456 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti 2025-08-31T10:09:42,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS 2025-08-31T10:09:42,460 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS 2025-08-31T10:09:42,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC 2025-08-31T10:09:42,464 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC 2025-08-31T10:09:42,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS 2025-08-31T10:09:42,468 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS 2025-08-31T10:09:42,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60 2025-08-31T10:09:42,472 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60 2025-08-31T10:09:42,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23 2025-08-31T10:09:42,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a 2025-08-31T10:09:42,478 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a 2025-08-31T10:09:42,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a 2025-08-31T10:09:42,482 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a 2025-08-31T10:09:42,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23 2025-08-31T10:09:42,486 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23 2025-08-31T10:09:42,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4 2025-08-31T10:09:42,490 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4 2025-08-31T10:09:42,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a 2025-08-31T10:09:42,494 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a 2025-08-31T10:09:42,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a 2025-08-31T10:09:42,498 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a 2025-08-31T10:09:42,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b 2025-08-31T10:09:42,503 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b 2025-08-31T10:09:42,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8 2025-08-31T10:09:42,507 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8 2025-08-31T10:09:42,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b 2025-08-31T10:09:42,511 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b 2025-08-31T10:09:42,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b 2025-08-31T10:09:42,515 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b 2025-08-31T10:09:42,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b 2025-08-31T10:09:42,519 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b 2025-08-31T10:09:42,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3 2025-08-31T10:09:42,524 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3 2025-08-31T10:09:42,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a 2025-08-31T10:09:42,529 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a 2025-08-31T10:09:42,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a 2025-08-31T10:09:42,534 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a 2025-08-31T10:09:42,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b 2025-08-31T10:09:42,539 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b 2025-08-31T10:09:42,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a 2025-08-31T10:09:42,544 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a 2025-08-31T10:09:42,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b 2025-08-31T10:09:42,549 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b 2025-08-31T10:09:42,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10 2025-08-31T10:09:42,553 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10 2025-08-31T10:09:42,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b 2025-08-31T10:09:42,558 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b 2025-08-31T10:09:42,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b 2025-08-31T10:09:42,562 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b 2025-08-31T10:09:42,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a 2025-08-31T10:09:42,566 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a 2025-08-31T10:09:42,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a 2025-08-31T10:09:42,570 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a 2025-08-31T10:09:42,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a 2025-08-31T10:09:42,575 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a 2025-08-31T10:09:42,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a 2025-08-31T10:09:42,579 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a 2025-08-31T10:09:42,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22 2025-08-31T10:09:42,584 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22 2025-08-31T10:09:42,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18 2025-08-31T10:09:42,588 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18 2025-08-31T10:09:42,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16 2025-08-31T10:09:42,592 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16 2025-08-31T10:09:42,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7 2025-08-31T10:09:42,596 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7 2025-08-31T10:09:42,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a 2025-08-31T10:09:42,600 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a 2025-08-31T10:09:42,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21 2025-08-31T10:09:42,604 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21 2025-08-31T10:09:42,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b 2025-08-31T10:09:42,609 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b 2025-08-31T10:09:42,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13 2025-08-31T10:09:42,613 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13 2025-08-31T10:09:42,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a 2025-08-31T10:09:42,618 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a 2025-08-31T10:09:42,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6 2025-08-31T10:09:42,622 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6 2025-08-31T10:09:42,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a 2025-08-31T10:09:42,627 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a 2025-08-31T10:09:42,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a 2025-08-31T10:09:42,631 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a 2025-08-31T10:09:42,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14 2025-08-31T10:09:42,635 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14 2025-08-31T10:09:42,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a 2025-08-31T10:09:42,639 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a 2025-08-31T10:09:42,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a 2025-08-31T10:09:42,643 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a 2025-08-31T10:09:42,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1 2025-08-31T10:09:42,647 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1 2025-08-31T10:09:42,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15 2025-08-31T10:09:42,651 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15 2025-08-31T10:09:42,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19 2025-08-31T10:09:42,655 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19 2025-08-31T10:09:42,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b 2025-08-31T10:09:42,660 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b 2025-08-31T10:09:42,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b 2025-08-31T10:09:42,664 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b 2025-08-31T10:09:42,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b 2025-08-31T10:09:42,668 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b 2025-08-31T10:09:42,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2 2025-08-31T10:09:42,673 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2 2025-08-31T10:09:42,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20 2025-08-31T10:09:42,677 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20 2025-08-31T10:09:42,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b 2025-08-31T10:09:42,681 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b 2025-08-31T10:09:42,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5 2025-08-31T10:09:42,685 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5 2025-08-31T10:09:42,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b 2025-08-31T10:09:42,689 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b 2025-08-31T10:09:42,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b 2025-08-31T10:09:42,693 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b 2025-08-31T10:09:42,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b 2025-08-31T10:09:42,697 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b 2025-08-31T10:09:42,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b 2025-08-31T10:09:42,701 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b 2025-08-31T10:09:42,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b 2025-08-31T10:09:42,705 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b 2025-08-31T10:09:42,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12 2025-08-31T10:09:42,709 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12 2025-08-31T10:09:42,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b 2025-08-31T10:09:42,714 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b 2025-08-31T10:09:42,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17 2025-08-31T10:09:42,718 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17 2025-08-31T10:09:42,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9 2025-08-31T10:09:42,722 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9 2025-08-31T10:09:42,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a 2025-08-31T10:09:42,726 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a 2025-08-31T10:09:42,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b 2025-08-31T10:09:42,730 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b 2025-08-31T10:09:42,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a 2025-08-31T10:09:42,734 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a 2025-08-31T10:09:42,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b 2025-08-31T10:09:42,738 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b 2025-08-31T10:09:42,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b 2025-08-31T10:09:42,742 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b 2025-08-31T10:09:42,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a 2025-08-31T10:09:42,746 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a 2025-08-31T10:09:42,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a 2025-08-31T10:09:42,750 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a 2025-08-31T10:09:42,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b 2025-08-31T10:09:42,754 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b 2025-08-31T10:09:42,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a 2025-08-31T10:09:42,759 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a 2025-08-31T10:09:42,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a 2025-08-31T10:09:42,763 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a 2025-08-31T10:09:42,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11 2025-08-31T10:09:42,768 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11 2025-08-31T10:09:42,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10 2025-08-31T10:09:42,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1 2025-08-31T10:09:42,774 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1 2025-08-31T10:09:42,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3 2025-08-31T10:09:42,777 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3 2025-08-31T10:09:42,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4 2025-08-31T10:09:42,782 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4 2025-08-31T10:09:42,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1 2025-08-31T10:09:42,785 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1 2025-08-31T10:09:42,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3 2025-08-31T10:09:42,790 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3 2025-08-31T10:09:42,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10 2025-08-31T10:09:42,794 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10 2025-08-31T10:09:42,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10 2025-08-31T10:09:42,797 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10 2025-08-31T10:09:42,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9 2025-08-31T10:09:42,802 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9 2025-08-31T10:09:42,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9 2025-08-31T10:09:42,806 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9 2025-08-31T10:09:42,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8 2025-08-31T10:09:42,810 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8 2025-08-31T10:09:42,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5 2025-08-31T10:09:42,815 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5 2025-08-31T10:09:42,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5 2025-08-31T10:09:42,819 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5 2025-08-31T10:09:42,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2 2025-08-31T10:09:42,823 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2 2025-08-31T10:09:42,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7 2025-08-31T10:09:42,827 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7 2025-08-31T10:09:42,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4 2025-08-31T10:09:42,830 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4 2025-08-31T10:09:42,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6 2025-08-31T10:09:42,834 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6 2025-08-31T10:09:42,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6 2025-08-31T10:09:42,838 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6 2025-08-31T10:09:42,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8 2025-08-31T10:09:42,842 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8 2025-08-31T10:09:42,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2 2025-08-31T10:09:42,846 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2 2025-08-31T10:09:42,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7 2025-08-31T10:09:42,850 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7 2025-08-31T10:09:42,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22 2025-08-31T10:09:42,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02 2025-08-31T10:09:42,857 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02 2025-08-31T10:09:42,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a 2025-08-31T10:09:42,862 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a 2025-08-31T10:09:42,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a 2025-08-31T10:09:42,866 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a 2025-08-31T10:09:42,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08 2025-08-31T10:09:42,870 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08 2025-08-31T10:09:42,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a 2025-08-31T10:09:42,877 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a 2025-08-31T10:09:42,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b 2025-08-31T10:09:42,881 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b 2025-08-31T10:09:42,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b 2025-08-31T10:09:42,885 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b 2025-08-31T10:09:42,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a 2025-08-31T10:09:42,888 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a 2025-08-31T10:09:42,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b 2025-08-31T10:09:42,892 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b 2025-08-31T10:09:42,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a 2025-08-31T10:09:42,895 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a 2025-08-31T10:09:42,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06 2025-08-31T10:09:42,899 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06 2025-08-31T10:09:42,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a 2025-08-31T10:09:42,902 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a 2025-08-31T10:09:42,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10 2025-08-31T10:09:42,906 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10 2025-08-31T10:09:42,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a 2025-08-31T10:09:42,910 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a 2025-08-31T10:09:42,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a 2025-08-31T10:09:42,913 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a 2025-08-31T10:09:42,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b 2025-08-31T10:09:42,918 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b 2025-08-31T10:09:42,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a 2025-08-31T10:09:42,922 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a 2025-08-31T10:09:42,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22 2025-08-31T10:09:42,926 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22 2025-08-31T10:09:42,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18 2025-08-31T10:09:42,929 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18 2025-08-31T10:09:42,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16 2025-08-31T10:09:42,933 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16 2025-08-31T10:09:42,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04 2025-08-31T10:09:42,937 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04 2025-08-31T10:09:42,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a 2025-08-31T10:09:42,940 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a 2025-08-31T10:09:42,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a 2025-08-31T10:09:42,944 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a 2025-08-31T10:09:42,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09 2025-08-31T10:09:42,948 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09 2025-08-31T10:09:42,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a 2025-08-31T10:09:42,953 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a 2025-08-31T10:09:42,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b 2025-08-31T10:09:42,957 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b 2025-08-31T10:09:42,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21 2025-08-31T10:09:42,962 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21 2025-08-31T10:09:42,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13 2025-08-31T10:09:42,966 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13 2025-08-31T10:09:42,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a 2025-08-31T10:09:42,970 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a 2025-08-31T10:09:42,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14 2025-08-31T10:09:42,975 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14 2025-08-31T10:09:42,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a 2025-08-31T10:09:42,980 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a 2025-08-31T10:09:42,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a 2025-08-31T10:09:42,984 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a 2025-08-31T10:09:42,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15 2025-08-31T10:09:42,990 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15 2025-08-31T10:09:42,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a 2025-08-31T10:09:42,995 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a 2025-08-31T10:09:42,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19 2025-08-31T10:09:43,000 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19 2025-08-31T10:09:43,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01 2025-08-31T10:09:43,006 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01 2025-08-31T10:09:43,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b 2025-08-31T10:09:43,012 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b 2025-08-31T10:09:43,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03 2025-08-31T10:09:43,018 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03 2025-08-31T10:09:43,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20 2025-08-31T10:09:43,023 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20 2025-08-31T10:09:43,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b 2025-08-31T10:09:43,028 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b 2025-08-31T10:09:43,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b 2025-08-31T10:09:43,033 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b 2025-08-31T10:09:43,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b 2025-08-31T10:09:43,038 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b 2025-08-31T10:09:43,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b 2025-08-31T10:09:43,043 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b 2025-08-31T10:09:43,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12 2025-08-31T10:09:43,047 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12 2025-08-31T10:09:43,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b 2025-08-31T10:09:43,051 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b 2025-08-31T10:09:43,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17 2025-08-31T10:09:43,056 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17 2025-08-31T10:09:43,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a 2025-08-31T10:09:43,060 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a 2025-08-31T10:09:43,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a 2025-08-31T10:09:43,064 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a 2025-08-31T10:09:43,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05 2025-08-31T10:09:43,067 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05 2025-08-31T10:09:43,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b 2025-08-31T10:09:43,071 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b 2025-08-31T10:09:43,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a 2025-08-31T10:09:43,075 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a 2025-08-31T10:09:43,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b 2025-08-31T10:09:43,078 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b 2025-08-31T10:09:43,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a 2025-08-31T10:09:43,081 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a 2025-08-31T10:09:43,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07 2025-08-31T10:09:43,085 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07 2025-08-31T10:09:43,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a 2025-08-31T10:09:43,088 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a 2025-08-31T10:09:43,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a 2025-08-31T10:09:43,092 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a 2025-08-31T10:09:43,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11 2025-08-31T10:09:43,095 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11 2025-08-31T10:09:43,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4 2025-08-31T10:09:43,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab 2025-08-31T10:09:43,102 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab 2025-08-31T10:09:43,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag 2025-08-31T10:09:43,105 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag 2025-08-31T10:09:43,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah 2025-08-31T10:09:43,109 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah 2025-08-31T10:09:43,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad 2025-08-31T10:09:43,112 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad 2025-08-31T10:09:43,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag 2025-08-31T10:09:43,115 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag 2025-08-31T10:09:43,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab 2025-08-31T10:09:43,119 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab 2025-08-31T10:09:43,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf 2025-08-31T10:09:43,122 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf 2025-08-31T10:09:43,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae 2025-08-31T10:09:43,126 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae 2025-08-31T10:09:43,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf 2025-08-31T10:09:43,130 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf 2025-08-31T10:09:43,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay 2025-08-31T10:09:43,133 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay 2025-08-31T10:09:43,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag 2025-08-31T10:09:43,138 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag 2025-08-31T10:09:43,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi 2025-08-31T10:09:43,142 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi 2025-08-31T10:09:43,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav 2025-08-31T10:09:43,145 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav 2025-08-31T10:09:43,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj 2025-08-31T10:09:43,149 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj 2025-08-31T10:09:43,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah 2025-08-31T10:09:43,152 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah 2025-08-31T10:09:43,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan 2025-08-31T10:09:43,155 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan 2025-08-31T10:09:43,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao 2025-08-31T10:09:43,159 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao 2025-08-31T10:09:43,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap 2025-08-31T10:09:43,162 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap 2025-08-31T10:09:43,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf 2025-08-31T10:09:43,166 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf 2025-08-31T10:09:43,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah 2025-08-31T10:09:43,170 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah 2025-08-31T10:09:43,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau 2025-08-31T10:09:43,173 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau 2025-08-31T10:09:43,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab 2025-08-31T10:09:43,177 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab 2025-08-31T10:09:43,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf 2025-08-31T10:09:43,180 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf 2025-08-31T10:09:43,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag 2025-08-31T10:09:43,184 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag 2025-08-31T10:09:43,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan 2025-08-31T10:09:43,188 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan 2025-08-31T10:09:43,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad 2025-08-31T10:09:43,192 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad 2025-08-31T10:09:43,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx 2025-08-31T10:09:43,197 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx 2025-08-31T10:09:43,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq 2025-08-31T10:09:43,200 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq 2025-08-31T10:09:43,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad 2025-08-31T10:09:43,205 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad 2025-08-31T10:09:43,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo 2025-08-31T10:09:43,209 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo 2025-08-31T10:09:43,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac 2025-08-31T10:09:43,212 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac 2025-08-31T10:09:43,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah 2025-08-31T10:09:43,217 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah 2025-08-31T10:09:43,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan 2025-08-31T10:09:43,221 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan 2025-08-31T10:09:43,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar 2025-08-31T10:09:43,225 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar 2025-08-31T10:09:43,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac 2025-08-31T10:09:43,229 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac 2025-08-31T10:09:43,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae 2025-08-31T10:09:43,233 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae 2025-08-31T10:09:43,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal 2025-08-31T10:09:43,237 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal 2025-08-31T10:09:43,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak 2025-08-31T10:09:43,241 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak 2025-08-31T10:09:43,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav 2025-08-31T10:09:43,245 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav 2025-08-31T10:09:43,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar 2025-08-31T10:09:43,249 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar 2025-08-31T10:09:43,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab 2025-08-31T10:09:43,253 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab 2025-08-31T10:09:43,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat 2025-08-31T10:09:43,257 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat 2025-08-31T10:09:43,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab 2025-08-31T10:09:43,261 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab 2025-08-31T10:09:43,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae 2025-08-31T10:09:43,265 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae 2025-08-31T10:09:43,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz 2025-08-31T10:09:43,268 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz 2025-08-31T10:09:43,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak 2025-08-31T10:09:43,272 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak 2025-08-31T10:09:43,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc 2025-08-31T10:09:43,275 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc 2025-08-31T10:09:43,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf 2025-08-31T10:09:43,278 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf 2025-08-31T10:09:43,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah 2025-08-31T10:09:43,282 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah 2025-08-31T10:09:43,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj 2025-08-31T10:09:43,286 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj 2025-08-31T10:09:43,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao 2025-08-31T10:09:43,289 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao 2025-08-31T10:09:43,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad 2025-08-31T10:09:43,293 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad 2025-08-31T10:09:43,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae 2025-08-31T10:09:43,296 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae 2025-08-31T10:09:43,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal 2025-08-31T10:09:43,300 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal 2025-08-31T10:09:43,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb 2025-08-31T10:09:43,303 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb 2025-08-31T10:09:43,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah 2025-08-31T10:09:43,307 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah 2025-08-31T10:09:43,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar 2025-08-31T10:09:43,310 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar 2025-08-31T10:09:43,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap 2025-08-31T10:09:43,314 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap 2025-08-31T10:09:43,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab 2025-08-31T10:09:43,317 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab 2025-08-31T10:09:43,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae 2025-08-31T10:09:43,321 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae 2025-08-31T10:09:43,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah 2025-08-31T10:09:43,324 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah 2025-08-31T10:09:43,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab 2025-08-31T10:09:43,328 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab 2025-08-31T10:09:43,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau 2025-08-31T10:09:43,331 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau 2025-08-31T10:09:43,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci 2025-08-31T10:09:43,335 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci 2025-08-31T10:09:43,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag 2025-08-31T10:09:43,338 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag 2025-08-31T10:09:43,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag 2025-08-31T10:09:43,341 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag 2025-08-31T10:09:43,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag 2025-08-31T10:09:43,345 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag 2025-08-31T10:09:43,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam 2025-08-31T10:09:43,349 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam 2025-08-31T10:09:43,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv 2025-08-31T10:09:43,352 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv 2025-08-31T10:09:43,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak 2025-08-31T10:09:43,356 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak 2025-08-31T10:09:43,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai 2025-08-31T10:09:43,359 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai 2025-08-31T10:09:43,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas 2025-08-31T10:09:43,362 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas 2025-08-31T10:09:43,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal 2025-08-31T10:09:43,366 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal 2025-08-31T10:09:43,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq 2025-08-31T10:09:43,370 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq 2025-08-31T10:09:43,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav 2025-08-31T10:09:43,373 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav 2025-08-31T10:09:43,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac 2025-08-31T10:09:43,377 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac 2025-08-31T10:09:43,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar 2025-08-31T10:09:43,380 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar 2025-08-31T10:09:43,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao 2025-08-31T10:09:43,384 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao 2025-08-31T10:09:43,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag 2025-08-31T10:09:43,387 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag 2025-08-31T10:09:43,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac 2025-08-31T10:09:43,393 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac 2025-08-31T10:09:43,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat 2025-08-31T10:09:43,397 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat 2025-08-31T10:09:43,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai 2025-08-31T10:09:43,400 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai 2025-08-31T10:09:43,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq 2025-08-31T10:09:43,404 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq 2025-08-31T10:09:43,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal 2025-08-31T10:09:43,407 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal 2025-08-31T10:09:43,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad 2025-08-31T10:09:43,411 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad 2025-08-31T10:09:43,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq 2025-08-31T10:09:43,414 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq 2025-08-31T10:09:43,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah 2025-08-31T10:09:43,418 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah 2025-08-31T10:09:43,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby 2025-08-31T10:09:43,421 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby 2025-08-31T10:09:43,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw 2025-08-31T10:09:43,425 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw 2025-08-31T10:09:43,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm 2025-08-31T10:09:43,428 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm 2025-08-31T10:09:43,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj 2025-08-31T10:09:43,432 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj 2025-08-31T10:09:43,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak 2025-08-31T10:09:43,435 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak 2025-08-31T10:09:43,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf 2025-08-31T10:09:43,438 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf 2025-08-31T10:09:43,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap 2025-08-31T10:09:43,442 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap 2025-08-31T10:09:43,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal 2025-08-31T10:09:43,445 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal 2025-08-31T10:09:43,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai 2025-08-31T10:09:43,449 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai 2025-08-31T10:09:43,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad 2025-08-31T10:09:43,452 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad 2025-08-31T10:09:43,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan 2025-08-31T10:09:43,455 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan 2025-08-31T10:09:43,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak 2025-08-31T10:09:43,459 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak 2025-08-31T10:09:43,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad 2025-08-31T10:09:43,463 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad 2025-08-31T10:09:43,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34 2025-08-31T10:09:43,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5 2025-08-31T10:09:43,468 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5 2025-08-31T10:09:43,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29 2025-08-31T10:09:43,472 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29 2025-08-31T10:09:43,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1 2025-08-31T10:09:43,476 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1 2025-08-31T10:09:43,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13 2025-08-31T10:09:43,479 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13 2025-08-31T10:09:43,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17 2025-08-31T10:09:43,482 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17 2025-08-31T10:09:43,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18 2025-08-31T10:09:43,486 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18 2025-08-31T10:09:43,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17 2025-08-31T10:09:43,489 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17 2025-08-31T10:09:43,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15 2025-08-31T10:09:43,492 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15 2025-08-31T10:09:43,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32 2025-08-31T10:09:43,496 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32 2025-08-31T10:09:43,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12 2025-08-31T10:09:43,499 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12 2025-08-31T10:09:43,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28 2025-08-31T10:09:43,503 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28 2025-08-31T10:09:43,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33 2025-08-31T10:09:43,506 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33 2025-08-31T10:09:43,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18 2025-08-31T10:09:43,509 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18 2025-08-31T10:09:43,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7 2025-08-31T10:09:43,513 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7 2025-08-31T10:09:43,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20 2025-08-31T10:09:43,516 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20 2025-08-31T10:09:43,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14 2025-08-31T10:09:43,520 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14 2025-08-31T10:09:43,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25 2025-08-31T10:09:43,523 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25 2025-08-31T10:09:43,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23 2025-08-31T10:09:43,527 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23 2025-08-31T10:09:43,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8 2025-08-31T10:09:43,530 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8 2025-08-31T10:09:43,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3 2025-08-31T10:09:43,533 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3 2025-08-31T10:09:43,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4 2025-08-31T10:09:43,537 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4 2025-08-31T10:09:43,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7 2025-08-31T10:09:43,540 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7 2025-08-31T10:09:43,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19 2025-08-31T10:09:43,543 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19 2025-08-31T10:09:43,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27 2025-08-31T10:09:43,546 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27 2025-08-31T10:09:43,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30 2025-08-31T10:09:43,550 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30 2025-08-31T10:09:43,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33 2025-08-31T10:09:43,553 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33 2025-08-31T10:09:43,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9 2025-08-31T10:09:43,557 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9 2025-08-31T10:09:43,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27 2025-08-31T10:09:43,560 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27 2025-08-31T10:09:43,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25 2025-08-31T10:09:43,564 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25 2025-08-31T10:09:43,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16 2025-08-31T10:09:43,567 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16 2025-08-31T10:09:43,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21 2025-08-31T10:09:43,570 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21 2025-08-31T10:09:43,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12 2025-08-31T10:09:43,573 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12 2025-08-31T10:09:43,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6 2025-08-31T10:09:43,576 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6 2025-08-31T10:09:43,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31 2025-08-31T10:09:43,580 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31 2025-08-31T10:09:43,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4 2025-08-31T10:09:43,583 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4 2025-08-31T10:09:43,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16 2025-08-31T10:09:43,586 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16 2025-08-31T10:09:43,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20 2025-08-31T10:09:43,590 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20 2025-08-31T10:09:43,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13 2025-08-31T10:09:43,593 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13 2025-08-31T10:09:43,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30 2025-08-31T10:09:43,596 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30 2025-08-31T10:09:43,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24 2025-08-31T10:09:43,600 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24 2025-08-31T10:09:43,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34 2025-08-31T10:09:43,603 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34 2025-08-31T10:09:43,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24 2025-08-31T10:09:43,607 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24 2025-08-31T10:09:43,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34 2025-08-31T10:09:43,610 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34 2025-08-31T10:09:43,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31 2025-08-31T10:09:43,613 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31 2025-08-31T10:09:43,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22 2025-08-31T10:09:43,617 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22 2025-08-31T10:09:43,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8 2025-08-31T10:09:43,620 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8 2025-08-31T10:09:43,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23 2025-08-31T10:09:43,623 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23 2025-08-31T10:09:43,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1 2025-08-31T10:09:43,626 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1 2025-08-31T10:09:43,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26 2025-08-31T10:09:43,630 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26 2025-08-31T10:09:43,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10 2025-08-31T10:09:43,633 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10 2025-08-31T10:09:43,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21 2025-08-31T10:09:43,636 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21 2025-08-31T10:09:43,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9 2025-08-31T10:09:43,640 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9 2025-08-31T10:09:43,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14 2025-08-31T10:09:43,643 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14 2025-08-31T10:09:43,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11 2025-08-31T10:09:43,647 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11 2025-08-31T10:09:43,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32 2025-08-31T10:09:43,650 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32 2025-08-31T10:09:43,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15 2025-08-31T10:09:43,653 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15 2025-08-31T10:09:43,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28 2025-08-31T10:09:43,656 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28 2025-08-31T10:09:43,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26 2025-08-31T10:09:43,660 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26 2025-08-31T10:09:43,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29 2025-08-31T10:09:43,663 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29 2025-08-31T10:09:43,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3 2025-08-31T10:09:43,667 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3 2025-08-31T10:09:43,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2 2025-08-31T10:09:43,670 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2 2025-08-31T10:09:43,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10 2025-08-31T10:09:43,673 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10 2025-08-31T10:09:43,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11 2025-08-31T10:09:43,677 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11 2025-08-31T10:09:43,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10 2025-08-31T10:09:43,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2 2025-08-31T10:09:43,682 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2 2025-08-31T10:09:43,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+ 2025-08-31T10:09:43,685 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+ 2025-08-31T10:09:43,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+ 2025-08-31T10:09:43,689 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+ 2025-08-31T10:09:43,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+ 2025-08-31T10:09:43,694 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+ 2025-08-31T10:09:43,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3 2025-08-31T10:09:43,697 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3 2025-08-31T10:09:43,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be 2025-08-31T10:09:43,701 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be 2025-08-31T10:09:43,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4 2025-08-31T10:09:43,704 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4 2025-08-31T10:09:43,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+ 2025-08-31T10:09:43,708 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+ 2025-08-31T10:09:43,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+ 2025-08-31T10:09:43,711 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+ 2025-08-31T10:09:43,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+ 2025-08-31T10:09:43,715 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+ 2025-08-31T10:09:43,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+ 2025-08-31T10:09:43,718 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+ 2025-08-31T10:09:43,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3 2025-08-31T10:09:43,721 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3 2025-08-31T10:09:43,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+ 2025-08-31T10:09:43,725 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+ 2025-08-31T10:09:43,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg 2025-08-31T10:09:43,728 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg 2025-08-31T10:09:43,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s 2025-08-31T10:09:43,732 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s 2025-08-31T10:09:43,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o 2025-08-31T10:09:43,735 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o 2025-08-31T10:09:43,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+ 2025-08-31T10:09:43,738 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+ 2025-08-31T10:09:43,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6 2025-08-31T10:09:43,742 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6 2025-08-31T10:09:43,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+ 2025-08-31T10:09:43,745 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+ 2025-08-31T10:09:43,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4 2025-08-31T10:09:43,748 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4 2025-08-31T10:09:43,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL 2025-08-31T10:09:43,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62 2025-08-31T10:09:43,754 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62 2025-08-31T10:09:43,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24 2025-08-31T10:09:43,757 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24 2025-08-31T10:09:43,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13 2025-08-31T10:09:43,761 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13 2025-08-31T10:09:43,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42 2025-08-31T10:09:43,764 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42 2025-08-31T10:09:43,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63 2025-08-31T10:09:43,767 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63 2025-08-31T10:09:43,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11 2025-08-31T10:09:43,770 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11 2025-08-31T10:09:43,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10 2025-08-31T10:09:43,774 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10 2025-08-31T10:09:43,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27 2025-08-31T10:09:43,777 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27 2025-08-31T10:09:43,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15 2025-08-31T10:09:43,781 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15 2025-08-31T10:09:43,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21 2025-08-31T10:09:43,785 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21 2025-08-31T10:09:43,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56 2025-08-31T10:09:43,788 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56 2025-08-31T10:09:43,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45 2025-08-31T10:09:43,791 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45 2025-08-31T10:09:43,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3 2025-08-31T10:09:43,794 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3 2025-08-31T10:09:43,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64 2025-08-31T10:09:43,798 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64 2025-08-31T10:09:43,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49 2025-08-31T10:09:43,801 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49 2025-08-31T10:09:43,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44 2025-08-31T10:09:43,804 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44 2025-08-31T10:09:43,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32 2025-08-31T10:09:43,808 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32 2025-08-31T10:09:43,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20 2025-08-31T10:09:43,811 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20 2025-08-31T10:09:43,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35 2025-08-31T10:09:43,815 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35 2025-08-31T10:09:43,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40 2025-08-31T10:09:43,818 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40 2025-08-31T10:09:43,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25 2025-08-31T10:09:43,822 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25 2025-08-31T10:09:43,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14 2025-08-31T10:09:43,825 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14 2025-08-31T10:09:43,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29 2025-08-31T10:09:43,828 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29 2025-08-31T10:09:43,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4 2025-08-31T10:09:43,832 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4 2025-08-31T10:09:43,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22 2025-08-31T10:09:43,835 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22 2025-08-31T10:09:43,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16 2025-08-31T10:09:43,838 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16 2025-08-31T10:09:43,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34 2025-08-31T10:09:43,842 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34 2025-08-31T10:09:43,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28 2025-08-31T10:09:43,845 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28 2025-08-31T10:09:43,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2 2025-08-31T10:09:43,849 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2 2025-08-31T10:09:43,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9 2025-08-31T10:09:43,852 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9 2025-08-31T10:09:43,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18 2025-08-31T10:09:43,856 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18 2025-08-31T10:09:43,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19 2025-08-31T10:09:43,860 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19 2025-08-31T10:09:43,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50 2025-08-31T10:09:43,863 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50 2025-08-31T10:09:43,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57 2025-08-31T10:09:43,866 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57 2025-08-31T10:09:43,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41 2025-08-31T10:09:43,870 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41 2025-08-31T10:09:43,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1 2025-08-31T10:09:43,873 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1 2025-08-31T10:09:43,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31 2025-08-31T10:09:43,877 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31 2025-08-31T10:09:43,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38 2025-08-31T10:09:43,880 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38 2025-08-31T10:09:43,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8 2025-08-31T10:09:43,884 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8 2025-08-31T10:09:43,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65 2025-08-31T10:09:43,887 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65 2025-08-31T10:09:43,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12 2025-08-31T10:09:43,891 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12 2025-08-31T10:09:43,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51 2025-08-31T10:09:43,895 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51 2025-08-31T10:09:43,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55 2025-08-31T10:09:43,899 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55 2025-08-31T10:09:43,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17 2025-08-31T10:09:43,903 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17 2025-08-31T10:09:43,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33 2025-08-31T10:09:43,906 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33 2025-08-31T10:09:43,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59 2025-08-31T10:09:43,909 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59 2025-08-31T10:09:43,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37 2025-08-31T10:09:43,912 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37 2025-08-31T10:09:43,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47 2025-08-31T10:09:43,916 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47 2025-08-31T10:09:43,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48 2025-08-31T10:09:43,919 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48 2025-08-31T10:09:43,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53 2025-08-31T10:09:43,922 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53 2025-08-31T10:09:43,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61 2025-08-31T10:09:43,926 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61 2025-08-31T10:09:43,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6 2025-08-31T10:09:43,929 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6 2025-08-31T10:09:43,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39 2025-08-31T10:09:43,932 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39 2025-08-31T10:09:43,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54 2025-08-31T10:09:43,936 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54 2025-08-31T10:09:43,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5 2025-08-31T10:09:43,939 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5 2025-08-31T10:09:43,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60 2025-08-31T10:09:43,943 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60 2025-08-31T10:09:43,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7 2025-08-31T10:09:43,946 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7 2025-08-31T10:09:43,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43 2025-08-31T10:09:43,949 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43 2025-08-31T10:09:43,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26 2025-08-31T10:09:43,952 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26 2025-08-31T10:09:43,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23 2025-08-31T10:09:43,956 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23 2025-08-31T10:09:43,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36 2025-08-31T10:09:43,959 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36 2025-08-31T10:09:43,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58 2025-08-31T10:09:43,963 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58 2025-08-31T10:09:43,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52 2025-08-31T10:09:43,966 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52 2025-08-31T10:09:43,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46 2025-08-31T10:09:43,970 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46 2025-08-31T10:09:43,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30 2025-08-31T10:09:43,973 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30 2025-08-31T10:09:43,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20 2025-08-31T10:09:43,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51 2025-08-31T10:09:43,979 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51 2025-08-31T10:09:43,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49 2025-08-31T10:09:43,982 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49 2025-08-31T10:09:43,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45 2025-08-31T10:09:43,986 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45 2025-08-31T10:09:43,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48 2025-08-31T10:09:43,989 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48 2025-08-31T10:09:43,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46 2025-08-31T10:09:43,993 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46 2025-08-31T10:09:43,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40 2025-08-31T10:09:43,996 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40 2025-08-31T10:09:43,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60 2025-08-31T10:09:43,999 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60 2025-08-31T10:09:44,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40 2025-08-31T10:09:44,003 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40 2025-08-31T10:09:44,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56 2025-08-31T10:09:44,006 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56 2025-08-31T10:09:44,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22 2025-08-31T10:09:44,009 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22 2025-08-31T10:09:44,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49 2025-08-31T10:09:44,013 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49 2025-08-31T10:09:44,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26 2025-08-31T10:09:44,016 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26 2025-08-31T10:09:44,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51 2025-08-31T10:09:44,019 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51 2025-08-31T10:09:44,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44 2025-08-31T10:09:44,023 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44 2025-08-31T10:09:44,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47 2025-08-31T10:09:44,026 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47 2025-08-31T10:09:44,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20 2025-08-31T10:09:44,029 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20 2025-08-31T10:09:44,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25 2025-08-31T10:09:44,032 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25 2025-08-31T10:09:44,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28 2025-08-31T10:09:44,036 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28 2025-08-31T10:09:44,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48 2025-08-31T10:09:44,039 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48 2025-08-31T10:09:44,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56 2025-08-31T10:09:44,042 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56 2025-08-31T10:09:44,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43 2025-08-31T10:09:44,046 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43 2025-08-31T10:09:44,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45 2025-08-31T10:09:44,049 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45 2025-08-31T10:09:44,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46 2025-08-31T10:09:44,052 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46 2025-08-31T10:09:44,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22 2025-08-31T10:09:44,056 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22 2025-08-31T10:09:44,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52 2025-08-31T10:09:44,059 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52 2025-08-31T10:09:44,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44 2025-08-31T10:09:44,063 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44 2025-08-31T10:09:44,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20 2025-08-31T10:09:44,066 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20 2025-08-31T10:09:44,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21 2025-08-31T10:09:44,069 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21 2025-08-31T10:09:44,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26 2025-08-31T10:09:44,073 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26 2025-08-31T10:09:44,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25 2025-08-31T10:09:44,076 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25 2025-08-31T10:09:44,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52 2025-08-31T10:09:44,079 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52 2025-08-31T10:09:44,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47 2025-08-31T10:09:44,082 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47 2025-08-31T10:09:44,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57 2025-08-31T10:09:44,086 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57 2025-08-31T10:09:44,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43 2025-08-31T10:09:44,089 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43 2025-08-31T10:09:44,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29 2025-08-31T10:09:44,092 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29 2025-08-31T10:09:44,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60 2025-08-31T10:09:44,096 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60 2025-08-31T10:09:44,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21 2025-08-31T10:09:44,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e 2025-08-31T10:09:44,102 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e 2025-08-31T10:09:44,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3 2025-08-31T10:09:44,105 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3 2025-08-31T10:09:44,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2 2025-08-31T10:09:44,108 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2 2025-08-31T10:09:44,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1 2025-08-31T10:09:44,112 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1 2025-08-31T10:09:44,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1 2025-08-31T10:09:44,115 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1 2025-08-31T10:09:44,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e 2025-08-31T10:09:44,118 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e 2025-08-31T10:09:44,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p 2025-08-31T10:09:44,121 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p 2025-08-31T10:09:44,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr 2025-08-31T10:09:44,124 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr 2025-08-31T10:09:44,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e 2025-08-31T10:09:44,128 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e 2025-08-31T10:09:44,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e 2025-08-31T10:09:44,131 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e 2025-08-31T10:09:44,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1 2025-08-31T10:09:44,134 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1 2025-08-31T10:09:44,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2 2025-08-31T10:09:44,138 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2 2025-08-31T10:09:44,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2 2025-08-31T10:09:44,141 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2 2025-08-31T10:09:44,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1 2025-08-31T10:09:44,144 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1 2025-08-31T10:09:44,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4 2025-08-31T10:09:44,148 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4 2025-08-31T10:09:44,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1 2025-08-31T10:09:44,151 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1 2025-08-31T10:09:44,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6 2025-08-31T10:09:44,154 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6 2025-08-31T10:09:44,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2 2025-08-31T10:09:44,158 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2 2025-08-31T10:09:44,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p 2025-08-31T10:09:44,161 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p 2025-08-31T10:09:44,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1 2025-08-31T10:09:44,164 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1 2025-08-31T10:09:44,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3 2025-08-31T10:09:44,168 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3 2025-08-31T10:09:44,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene 2025-08-31T10:09:44,171 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene 2025-08-31T10:09:44,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e 2025-08-31T10:09:44,174 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e 2025-08-31T10:09:44,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me 2025-08-31T10:09:44,178 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me 2025-08-31T10:09:44,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2 2025-08-31T10:09:44,181 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2 2025-08-31T10:09:44,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e 2025-08-31T10:09:44,185 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e 2025-08-31T10:09:44,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1 2025-08-31T10:09:44,189 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1 2025-08-31T10:09:44,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1 2025-08-31T10:09:44,192 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1 2025-08-31T10:09:44,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1 2025-08-31T10:09:44,195 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1 2025-08-31T10:09:44,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3 2025-08-31T10:09:44,199 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3 2025-08-31T10:09:44,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e 2025-08-31T10:09:44,202 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e 2025-08-31T10:09:44,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int 2025-08-31T10:09:44,205 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int 2025-08-31T10:09:44,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e 2025-08-31T10:09:44,209 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e 2025-08-31T10:09:44,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2 2025-08-31T10:09:44,212 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2 2025-08-31T10:09:44,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e 2025-08-31T10:09:44,215 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e 2025-08-31T10:09:44,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3 2025-08-31T10:09:44,218 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3 2025-08-31T10:09:44,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3 2025-08-31T10:09:44,222 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3 2025-08-31T10:09:44,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3 2025-08-31T10:09:44,225 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3 2025-08-31T10:09:44,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5 2025-08-31T10:09:44,229 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5 2025-08-31T10:09:44,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2 2025-08-31T10:09:44,232 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2 2025-08-31T10:09:44,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e 2025-08-31T10:09:44,235 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e 2025-08-31T10:09:44,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05 2025-08-31T10:09:44,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl 2025-08-31T10:09:44,243 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl 2025-08-31T10:09:44,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3 2025-08-31T10:09:44,246 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3 2025-08-31T10:09:44,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n 2025-08-31T10:09:44,249 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n 2025-08-31T10:09:44,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2 2025-08-31T10:09:44,252 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2 2025-08-31T10:09:44,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A 2025-08-31T10:09:44,256 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A 2025-08-31T10:09:44,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s 2025-08-31T10:09:44,259 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s 2025-08-31T10:09:44,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5 2025-08-31T10:09:44,263 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5 2025-08-31T10:09:44,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he 2025-08-31T10:09:44,266 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he 2025-08-31T10:09:44,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68 2025-08-31T10:09:44,269 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68 2025-08-31T10:09:44,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74 2025-08-31T10:09:44,273 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74 2025-08-31T10:09:44,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71 2025-08-31T10:09:44,276 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71 2025-08-31T10:09:44,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1 2025-08-31T10:09:44,280 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1 2025-08-31T10:09:44,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans 2025-08-31T10:09:44,283 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans 2025-08-31T10:09:44,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar 2025-08-31T10:09:44,286 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar 2025-08-31T10:09:44,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh 2025-08-31T10:09:44,290 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh 2025-08-31T10:09:44,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80 2025-08-31T10:09:44,293 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80 2025-08-31T10:09:44,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2 2025-08-31T10:09:44,296 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2 2025-08-31T10:09:44,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S 2025-08-31T10:09:44,299 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S 2025-08-31T10:09:44,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts 2025-08-31T10:09:44,303 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts 2025-08-31T10:09:44,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A 2025-08-31T10:09:44,306 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A 2025-08-31T10:09:44,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh 2025-08-31T10:09:44,310 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh 2025-08-31T10:09:44,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc 2025-08-31T10:09:44,313 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc 2025-08-31T10:09:44,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4 2025-08-31T10:09:44,317 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4 2025-08-31T10:09:44,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75 2025-08-31T10:09:44,320 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75 2025-08-31T10:09:44,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1 2025-08-31T10:09:44,324 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1 2025-08-31T10:09:44,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis 2025-08-31T10:09:44,327 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis 2025-08-31T10:09:44,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8 2025-08-31T10:09:44,330 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8 2025-08-31T10:09:44,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76 2025-08-31T10:09:44,334 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76 2025-08-31T10:09:44,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2 2025-08-31T10:09:44,337 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2 2025-08-31T10:09:44,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr 2025-08-31T10:09:44,340 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr 2025-08-31T10:09:44,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2 2025-08-31T10:09:44,344 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2 2025-08-31T10:09:44,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf 2025-08-31T10:09:44,347 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf 2025-08-31T10:09:44,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf 2025-08-31T10:09:44,351 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf 2025-08-31T10:09:44,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al 2025-08-31T10:09:44,354 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al 2025-08-31T10:09:44,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k 2025-08-31T10:09:44,358 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k 2025-08-31T10:09:44,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3 2025-08-31T10:09:44,362 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3 2025-08-31T10:09:44,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c 2025-08-31T10:09:44,365 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c 2025-08-31T10:09:44,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be 2025-08-31T10:09:44,369 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be 2025-08-31T10:09:44,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis 2025-08-31T10:09:44,372 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis 2025-08-31T10:09:44,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p 2025-08-31T10:09:44,375 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p 2025-08-31T10:09:44,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2 2025-08-31T10:09:44,379 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2 2025-08-31T10:09:44,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B 2025-08-31T10:09:44,382 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B 2025-08-31T10:09:44,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+ 2025-08-31T10:09:44,386 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+ 2025-08-31T10:09:44,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar 2025-08-31T10:09:44,389 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar 2025-08-31T10:09:44,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH 2025-08-31T10:09:44,392 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH 2025-08-31T10:09:44,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64 2025-08-31T10:09:44,396 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64 2025-08-31T10:09:44,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2 2025-08-31T10:09:44,399 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2 2025-08-31T10:09:44,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34 2025-08-31T10:09:44,402 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34 2025-08-31T10:09:44,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s 2025-08-31T10:09:44,406 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s 2025-08-31T10:09:44,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco 2025-08-31T10:09:44,409 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco 2025-08-31T10:09:44,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr 2025-08-31T10:09:44,412 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr 2025-08-31T10:09:44,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20 2025-08-31T10:09:44,416 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20 2025-08-31T10:09:44,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73 2025-08-31T10:09:44,419 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73 2025-08-31T10:09:44,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2 2025-08-31T10:09:44,422 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2 2025-08-31T10:09:44,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b 2025-08-31T10:09:44,426 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b 2025-08-31T10:09:44,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf 2025-08-31T10:09:44,430 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf 2025-08-31T10:09:44,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+ 2025-08-31T10:09:44,433 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+ 2025-08-31T10:09:44,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2 2025-08-31T10:09:44,436 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2 2025-08-31T10:09:44,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2 2025-08-31T10:09:44,440 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2 2025-08-31T10:09:44,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a 2025-08-31T10:09:44,443 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a 2025-08-31T10:09:44,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3 2025-08-31T10:09:44,446 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3 2025-08-31T10:09:44,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3 2025-08-31T10:09:44,450 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3 2025-08-31T10:09:44,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+ 2025-08-31T10:09:44,453 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+ 2025-08-31T10:09:44,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f 2025-08-31T10:09:44,457 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f 2025-08-31T10:09:44,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic 2025-08-31T10:09:44,460 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic 2025-08-31T10:09:44,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts 2025-08-31T10:09:44,464 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts 2025-08-31T10:09:44,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18 2025-08-31T10:09:44,467 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18 2025-08-31T10:09:44,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS 2025-08-31T10:09:44,471 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS 2025-08-31T10:09:44,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH 2025-08-31T10:09:44,474 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH 2025-08-31T10:09:44,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59 2025-08-31T10:09:44,478 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59 2025-08-31T10:09:44,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20 2025-08-31T10:09:44,482 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20 2025-08-31T10:09:44,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40 2025-08-31T10:09:44,485 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40 2025-08-31T10:09:44,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2 2025-08-31T10:09:44,489 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2 2025-08-31T10:09:44,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr 2025-08-31T10:09:44,492 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr 2025-08-31T10:09:44,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr 2025-08-31T10:09:44,495 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr 2025-08-31T10:09:44,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47 2025-08-31T10:09:44,498 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47 2025-08-31T10:09:44,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67 2025-08-31T10:09:44,502 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67 2025-08-31T10:09:44,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2 2025-08-31T10:09:44,505 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2 2025-08-31T10:09:44,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o 2025-08-31T10:09:44,509 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o 2025-08-31T10:09:44,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne 2025-08-31T10:09:44,513 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne 2025-08-31T10:09:44,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17 2025-08-31T10:09:44,516 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17 2025-08-31T10:09:44,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13 2025-08-31T10:09:44,520 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13 2025-08-31T10:09:44,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4 2025-08-31T10:09:44,523 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4 2025-08-31T10:09:44,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH 2025-08-31T10:09:44,527 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH 2025-08-31T10:09:44,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12 2025-08-31T10:09:44,530 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12 2025-08-31T10:09:44,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58 2025-08-31T10:09:44,534 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58 2025-08-31T10:09:44,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1 2025-08-31T10:09:44,537 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1 2025-08-31T10:09:44,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3 2025-08-31T10:09:44,540 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3 2025-08-31T10:09:44,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts 2025-08-31T10:09:44,543 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts 2025-08-31T10:09:44,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25 2025-08-31T10:09:44,547 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25 2025-08-31T10:09:44,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+ 2025-08-31T10:09:44,550 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+ 2025-08-31T10:09:44,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4 2025-08-31T10:09:44,553 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4 2025-08-31T10:09:44,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4 2025-08-31T10:09:44,557 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4 2025-08-31T10:09:44,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs 2025-08-31T10:09:44,560 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs 2025-08-31T10:09:44,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn 2025-08-31T10:09:44,564 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn 2025-08-31T10:09:44,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B 2025-08-31T10:09:44,567 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B 2025-08-31T10:09:44,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25 2025-08-31T10:09:44,570 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25 2025-08-31T10:09:44,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6 2025-08-31T10:09:44,574 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6 2025-08-31T10:09:44,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25 2025-08-31T10:09:44,577 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25 2025-08-31T10:09:44,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4 2025-08-31T10:09:44,581 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4 2025-08-31T10:09:44,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B 2025-08-31T10:09:44,584 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B 2025-08-31T10:09:44,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe 2025-08-31T10:09:44,587 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe 2025-08-31T10:09:44,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao 2025-08-31T10:09:44,590 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao 2025-08-31T10:09:44,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp 2025-08-31T10:09:44,594 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp 2025-08-31T10:09:44,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1 2025-08-31T10:09:44,597 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1 2025-08-31T10:09:44,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20 2025-08-31T10:09:44,600 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20 2025-08-31T10:09:44,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p 2025-08-31T10:09:44,604 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p 2025-08-31T10:09:44,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg 2025-08-31T10:09:44,607 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg 2025-08-31T10:09:44,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14 2025-08-31T10:09:44,611 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14 2025-08-31T10:09:44,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2 2025-08-31T10:09:44,614 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2 2025-08-31T10:09:44,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24 2025-08-31T10:09:44,618 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24 2025-08-31T10:09:44,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n 2025-08-31T10:09:44,621 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n 2025-08-31T10:09:44,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s 2025-08-31T10:09:44,624 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s 2025-08-31T10:09:44,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl 2025-08-31T10:09:44,628 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl 2025-08-31T10:09:44,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45 2025-08-31T10:09:44,631 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45 2025-08-31T10:09:44,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl 2025-08-31T10:09:44,634 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl 2025-08-31T10:09:44,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78 2025-08-31T10:09:44,638 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78 2025-08-31T10:09:44,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b 2025-08-31T10:09:44,641 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b 2025-08-31T10:09:44,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B 2025-08-31T10:09:44,644 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B 2025-08-31T10:09:44,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl 2025-08-31T10:09:44,647 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl 2025-08-31T10:09:44,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10 2025-08-31T10:09:44,651 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10 2025-08-31T10:09:44,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n 2025-08-31T10:09:44,654 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n 2025-08-31T10:09:44,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2 2025-08-31T10:09:44,658 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2 2025-08-31T10:09:44,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20 2025-08-31T10:09:44,661 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20 2025-08-31T10:09:44,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5 2025-08-31T10:09:44,664 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5 2025-08-31T10:09:44,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43 2025-08-31T10:09:44,668 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43 2025-08-31T10:09:44,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h 2025-08-31T10:09:44,671 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h 2025-08-31T10:09:44,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3 2025-08-31T10:09:44,674 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3 2025-08-31T10:09:44,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A 2025-08-31T10:09:44,678 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A 2025-08-31T10:09:44,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s- 2025-08-31T10:09:44,681 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s- 2025-08-31T10:09:44,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca 2025-08-31T10:09:44,685 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca 2025-08-31T10:09:44,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02 2025-08-31T10:09:44,688 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02 2025-08-31T10:09:44,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+ 2025-08-31T10:09:44,692 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+ 2025-08-31T10:09:44,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl 2025-08-31T10:09:44,695 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl 2025-08-31T10:09:44,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A 2025-08-31T10:09:44,699 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A 2025-08-31T10:09:44,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si 2025-08-31T10:09:44,703 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si 2025-08-31T10:09:44,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A 2025-08-31T10:09:44,706 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A 2025-08-31T10:09:44,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A 2025-08-31T10:09:44,710 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A 2025-08-31T10:09:44,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots 2025-08-31T10:09:44,713 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots 2025-08-31T10:09:44,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n 2025-08-31T10:09:44,717 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n 2025-08-31T10:09:44,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A 2025-08-31T10:09:44,720 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A 2025-08-31T10:09:44,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n 2025-08-31T10:09:44,724 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n 2025-08-31T10:09:44,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi 2025-08-31T10:09:44,727 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi 2025-08-31T10:09:44,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O 2025-08-31T10:09:44,730 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O 2025-08-31T10:09:44,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2 2025-08-31T10:09:44,734 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2 2025-08-31T10:09:44,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne 2025-08-31T10:09:44,737 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne 2025-08-31T10:09:44,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn 2025-08-31T10:09:44,741 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn 2025-08-31T10:09:44,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2 2025-08-31T10:09:44,744 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2 2025-08-31T10:09:44,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B 2025-08-31T10:09:44,747 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B 2025-08-31T10:09:44,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B 2025-08-31T10:09:44,751 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B 2025-08-31T10:09:44,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p 2025-08-31T10:09:44,754 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p 2025-08-31T10:09:44,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39 2025-08-31T10:09:44,757 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39 2025-08-31T10:09:44,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f 2025-08-31T10:09:44,760 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f 2025-08-31T10:09:44,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo 2025-08-31T10:09:44,764 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo 2025-08-31T10:09:44,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm 2025-08-31T10:09:44,767 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm 2025-08-31T10:09:44,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS 2025-08-31T10:09:44,770 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS 2025-08-31T10:09:44,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo 2025-08-31T10:09:44,774 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo 2025-08-31T10:09:44,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s 2025-08-31T10:09:44,777 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s 2025-08-31T10:09:44,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp 2025-08-31T10:09:44,781 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp 2025-08-31T10:09:44,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+ 2025-08-31T10:09:44,784 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+ 2025-08-31T10:09:44,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48 2025-08-31T10:09:44,788 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48 2025-08-31T10:09:44,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh 2025-08-31T10:09:44,791 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh 2025-08-31T10:09:44,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl 2025-08-31T10:09:44,794 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl 2025-08-31T10:09:44,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl 2025-08-31T10:09:44,797 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl 2025-08-31T10:09:44,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O 2025-08-31T10:09:44,801 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O 2025-08-31T10:09:44,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A 2025-08-31T10:09:44,804 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A 2025-08-31T10:09:44,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21 2025-08-31T10:09:44,808 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21 2025-08-31T10:09:44,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B 2025-08-31T10:09:44,811 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B 2025-08-31T10:09:44,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2 2025-08-31T10:09:44,815 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2 2025-08-31T10:09:44,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+ 2025-08-31T10:09:44,818 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+ 2025-08-31T10:09:44,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel 2025-08-31T10:09:44,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43 2025-08-31T10:09:44,823 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43 2025-08-31T10:09:44,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0 2025-08-31T10:09:44,827 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0 2025-08-31T10:09:44,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3 2025-08-31T10:09:44,830 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3 2025-08-31T10:09:44,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42 2025-08-31T10:09:44,834 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42 2025-08-31T10:09:44,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2 2025-08-31T10:09:44,837 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2 2025-08-31T10:09:44,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72 2025-08-31T10:09:44,841 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72 2025-08-31T10:09:44,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4 2025-08-31T10:09:44,844 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4 2025-08-31T10:09:44,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72 2025-08-31T10:09:44,848 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72 2025-08-31T10:09:44,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1 2025-08-31T10:09:44,851 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1 2025-08-31T10:09:44,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71 2025-08-31T10:09:44,855 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71 2025-08-31T10:09:44,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41 2025-08-31T10:09:44,910 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41 2025-08-31T10:09:44,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2 2025-08-31T10:09:44,914 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2 2025-08-31T10:09:44,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1 2025-08-31T10:09:44,917 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1 2025-08-31T10:09:44,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3 2025-08-31T10:09:44,921 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3 2025-08-31T10:09:44,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2 2025-08-31T10:09:44,924 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2 2025-08-31T10:09:44,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3 2025-08-31T10:09:44,928 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3 2025-08-31T10:09:44,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42 2025-08-31T10:09:44,931 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42 2025-08-31T10:09:44,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0 2025-08-31T10:09:44,935 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0 2025-08-31T10:09:44,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41 2025-08-31T10:09:44,938 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41 2025-08-31T10:09:44,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2 2025-08-31T10:09:44,942 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2 2025-08-31T10:09:44,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42 2025-08-31T10:09:44,945 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42 2025-08-31T10:09:44,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0 2025-08-31T10:09:44,948 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0 2025-08-31T10:09:44,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3 2025-08-31T10:09:44,953 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3 2025-08-31T10:09:44,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1 2025-08-31T10:09:44,963 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1 2025-08-31T10:09:44,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71 2025-08-31T10:09:44,969 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71 2025-08-31T10:09:44,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2 2025-08-31T10:09:44,973 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2 2025-08-31T10:09:44,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1 2025-08-31T10:09:44,976 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1 2025-08-31T10:09:44,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0 2025-08-31T10:09:44,980 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0 2025-08-31T10:09:44,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41 2025-08-31T10:09:44,983 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41 2025-08-31T10:09:44,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0 2025-08-31T10:09:44,987 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0 2025-08-31T10:09:44,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2 2025-08-31T10:09:44,991 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2 2025-08-31T10:09:44,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP 2025-08-31T10:09:44,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22 2025-08-31T10:09:44,996 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22 2025-08-31T10:09:44,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f 2025-08-31T10:09:44,999 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f 2025-08-31T10:09:45,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1 2025-08-31T10:09:45,004 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1 2025-08-31T10:09:45,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2 2025-08-31T10:09:45,008 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2 2025-08-31T10:09:45,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2 2025-08-31T10:09:45,011 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2 2025-08-31T10:09:45,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f 2025-08-31T10:09:45,015 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f 2025-08-31T10:09:45,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l 2025-08-31T10:09:45,019 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l 2025-08-31T10:09:45,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant 2025-08-31T10:09:45,024 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant 2025-08-31T10:09:45,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene 2025-08-31T10:09:45,028 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene 2025-08-31T10:09:45,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer 2025-08-31T10:09:45,031 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer 2025-08-31T10:09:45,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l 2025-08-31T10:09:45,035 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l 2025-08-31T10:09:45,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1 2025-08-31T10:09:45,038 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1 2025-08-31T10:09:45,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2 2025-08-31T10:09:45,042 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2 2025-08-31T10:09:45,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24 2025-08-31T10:09:45,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole 2025-08-31T10:09:45,047 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole 2025-08-31T10:09:45,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS 2025-08-31T10:09:45,051 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS 2025-08-31T10:09:45,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S 2025-08-31T10:09:45,054 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S 2025-08-31T10:09:45,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2025-08-31T10:09:45,058 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2025-08-31T10:09:45,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene 2025-08-31T10:09:45,061 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene 2025-08-31T10:09:45,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS 2025-08-31T10:09:45,065 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS 2025-08-31T10:09:45,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS 2025-08-31T10:09:45,068 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS 2025-08-31T10:09:45,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene 2025-08-31T10:09:45,072 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene 2025-08-31T10:09:45,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2 2025-08-31T10:09:45,075 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2 2025-08-31T10:09:45,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene 2025-08-31T10:09:45,078 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene 2025-08-31T10:09:45,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene 2025-08-31T10:09:45,082 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene 2025-08-31T10:09:45,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS 2025-08-31T10:09:45,085 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS 2025-08-31T10:09:45,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine 2025-08-31T10:09:45,089 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine 2025-08-31T10:09:45,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS 2025-08-31T10:09:45,092 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS 2025-08-31T10:09:45,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS 2025-08-31T10:09:45,096 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS 2025-08-31T10:09:45,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS 2025-08-31T10:09:45,099 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS 2025-08-31T10:09:45,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS 2025-08-31T10:09:45,103 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS 2025-08-31T10:09:45,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS 2025-08-31T10:09:45,106 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS 2025-08-31T10:09:45,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS 2025-08-31T10:09:45,110 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS 2025-08-31T10:09:45,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS 2025-08-31T10:09:45,113 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS 2025-08-31T10:09:45,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS 2025-08-31T10:09:45,116 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS 2025-08-31T10:09:45,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene 2025-08-31T10:09:45,120 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene 2025-08-31T10:09:45,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether 2025-08-31T10:09:45,123 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether 2025-08-31T10:09:45,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene 2025-08-31T10:09:45,127 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene 2025-08-31T10:09:45,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph 2025-08-31T10:09:45,131 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph 2025-08-31T10:09:45,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS 2025-08-31T10:09:45,134 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS 2025-08-31T10:09:45,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3 2025-08-31T10:09:45,137 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3 2025-08-31T10:09:45,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene 2025-08-31T10:09:45,141 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene 2025-08-31T10:09:45,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS 2025-08-31T10:09:45,144 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS 2025-08-31T10:09:45,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3 2025-08-31T10:09:45,148 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3 2025-08-31T10:09:45,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene 2025-08-31T10:09:45,151 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene 2025-08-31T10:09:45,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS 2025-08-31T10:09:45,155 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS 2025-08-31T10:09:45,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS 2025-08-31T10:09:45,158 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS 2025-08-31T10:09:45,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene 2025-08-31T10:09:45,161 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene 2025-08-31T10:09:45,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene 2025-08-31T10:09:45,165 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene 2025-08-31T10:09:45,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS 2025-08-31T10:09:45,168 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS 2025-08-31T10:09:45,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether 2025-08-31T10:09:45,172 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether 2025-08-31T10:09:45,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3 2025-08-31T10:09:45,175 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3 2025-08-31T10:09:45,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS 2025-08-31T10:09:45,179 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS 2025-08-31T10:09:45,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3 2025-08-31T10:09:45,182 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3 2025-08-31T10:09:45,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS 2025-08-31T10:09:45,186 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS 2025-08-31T10:09:45,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3 2025-08-31T10:09:45,189 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3 2025-08-31T10:09:45,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene 2025-08-31T10:09:45,192 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene 2025-08-31T10:09:45,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS 2025-08-31T10:09:45,195 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS 2025-08-31T10:09:45,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS 2025-08-31T10:09:45,199 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS 2025-08-31T10:09:45,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O 2025-08-31T10:09:45,202 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O 2025-08-31T10:09:45,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS 2025-08-31T10:09:45,206 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS 2025-08-31T10:09:45,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS 2025-08-31T10:09:45,209 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS 2025-08-31T10:09:45,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF 2025-08-31T10:09:45,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+ 2025-08-31T10:09:45,215 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+ 2025-08-31T10:09:45,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt 2025-08-31T10:09:45,218 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt 2025-08-31T10:09:45,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G 2025-08-31T10:09:45,222 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G 2025-08-31T10:09:45,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT 2025-08-31T10:09:45,225 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT 2025-08-31T10:09:45,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g- 2025-08-31T10:09:45,229 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g- 2025-08-31T10:09:45,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX 2025-08-31T10:09:45,232 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX 2025-08-31T10:09:45,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg 2025-08-31T10:09:45,235 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg 2025-08-31T10:09:45,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG 2025-08-31T10:09:45,238 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG 2025-08-31T10:09:45,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+ 2025-08-31T10:09:45,242 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+ 2025-08-31T10:09:45,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt 2025-08-31T10:09:45,245 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt 2025-08-31T10:09:45,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt 2025-08-31T10:09:45,249 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt 2025-08-31T10:09:45,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T 2025-08-31T10:09:45,252 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T 2025-08-31T10:09:45,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG 2025-08-31T10:09:45,255 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG 2025-08-31T10:09:45,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g- 2025-08-31T10:09:45,259 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g- 2025-08-31T10:09:45,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg 2025-08-31T10:09:45,262 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg 2025-08-31T10:09:45,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x- 2025-08-31T10:09:45,266 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x- 2025-08-31T10:09:45,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg 2025-08-31T10:09:45,269 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg 2025-08-31T10:09:45,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g- 2025-08-31T10:09:45,273 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g- 2025-08-31T10:09:45,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF 2025-08-31T10:09:45,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23 2025-08-31T10:09:45,278 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23 2025-08-31T10:09:45,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4 2025-08-31T10:09:45,281 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4 2025-08-31T10:09:45,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8 2025-08-31T10:09:45,285 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8 2025-08-31T10:09:45,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30 2025-08-31T10:09:45,288 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30 2025-08-31T10:09:45,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3 2025-08-31T10:09:45,292 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3 2025-08-31T10:09:45,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29 2025-08-31T10:09:45,295 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29 2025-08-31T10:09:45,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42 2025-08-31T10:09:45,299 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42 2025-08-31T10:09:45,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10 2025-08-31T10:09:45,303 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10 2025-08-31T10:09:45,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34 2025-08-31T10:09:45,306 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34 2025-08-31T10:09:45,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22 2025-08-31T10:09:45,310 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22 2025-08-31T10:09:45,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18 2025-08-31T10:09:45,314 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18 2025-08-31T10:09:45,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16 2025-08-31T10:09:45,317 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16 2025-08-31T10:09:45,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7 2025-08-31T10:09:45,320 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7 2025-08-31T10:09:45,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52 2025-08-31T10:09:45,324 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52 2025-08-31T10:09:45,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37 2025-08-31T10:09:45,327 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37 2025-08-31T10:09:45,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40 2025-08-31T10:09:45,331 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40 2025-08-31T10:09:45,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28 2025-08-31T10:09:45,335 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28 2025-08-31T10:09:45,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36 2025-08-31T10:09:45,338 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36 2025-08-31T10:09:45,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47 2025-08-31T10:09:45,342 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47 2025-08-31T10:09:45,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21 2025-08-31T10:09:45,345 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21 2025-08-31T10:09:45,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13 2025-08-31T10:09:45,349 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13 2025-08-31T10:09:45,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25 2025-08-31T10:09:45,352 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25 2025-08-31T10:09:45,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32 2025-08-31T10:09:45,356 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32 2025-08-31T10:09:45,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6 2025-08-31T10:09:45,360 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6 2025-08-31T10:09:45,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41 2025-08-31T10:09:45,363 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41 2025-08-31T10:09:45,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14 2025-08-31T10:09:45,366 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14 2025-08-31T10:09:45,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1 2025-08-31T10:09:45,370 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1 2025-08-31T10:09:45,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15 2025-08-31T10:09:45,374 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15 2025-08-31T10:09:45,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38 2025-08-31T10:09:45,377 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38 2025-08-31T10:09:45,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24 2025-08-31T10:09:45,380 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24 2025-08-31T10:09:45,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19 2025-08-31T10:09:45,384 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19 2025-08-31T10:09:45,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31 2025-08-31T10:09:45,387 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31 2025-08-31T10:09:45,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45 2025-08-31T10:09:45,391 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45 2025-08-31T10:09:45,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50 2025-08-31T10:09:45,395 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50 2025-08-31T10:09:45,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26 2025-08-31T10:09:45,398 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26 2025-08-31T10:09:45,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46 2025-08-31T10:09:45,401 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46 2025-08-31T10:09:45,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2 2025-08-31T10:09:45,405 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2 2025-08-31T10:09:45,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20 2025-08-31T10:09:45,409 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20 2025-08-31T10:09:45,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5 2025-08-31T10:09:45,412 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5 2025-08-31T10:09:45,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43 2025-08-31T10:09:45,416 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43 2025-08-31T10:09:45,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44 2025-08-31T10:09:45,419 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44 2025-08-31T10:09:45,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33 2025-08-31T10:09:45,423 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33 2025-08-31T10:09:45,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12 2025-08-31T10:09:45,427 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12 2025-08-31T10:09:45,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17 2025-08-31T10:09:45,430 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17 2025-08-31T10:09:45,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35 2025-08-31T10:09:45,434 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35 2025-08-31T10:09:45,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51 2025-08-31T10:09:45,437 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51 2025-08-31T10:09:45,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9 2025-08-31T10:09:45,441 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9 2025-08-31T10:09:45,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39 2025-08-31T10:09:45,445 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39 2025-08-31T10:09:45,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49 2025-08-31T10:09:45,449 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49 2025-08-31T10:09:45,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48 2025-08-31T10:09:45,452 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48 2025-08-31T10:09:45,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11 2025-08-31T10:09:45,456 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11 2025-08-31T10:09:45,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27 2025-08-31T10:09:45,460 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27 2025-08-31T10:09:45,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12 2025-08-31T10:09:45,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O 2025-08-31T10:09:45,465 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O 2025-08-31T10:09:45,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL 2025-08-31T10:09:45,469 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL 2025-08-31T10:09:45,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A 2025-08-31T10:09:45,472 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A 2025-08-31T10:09:45,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B 2025-08-31T10:09:45,476 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B 2025-08-31T10:09:45,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B 2025-08-31T10:09:45,479 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B 2025-08-31T10:09:45,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A 2025-08-31T10:09:45,483 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A 2025-08-31T10:09:45,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A 2025-08-31T10:09:45,486 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A 2025-08-31T10:09:45,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B 2025-08-31T10:09:45,489 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B 2025-08-31T10:09:45,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL 2025-08-31T10:09:45,493 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL 2025-08-31T10:09:45,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A 2025-08-31T10:09:45,497 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A 2025-08-31T10:09:45,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N 2025-08-31T10:09:45,500 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N 2025-08-31T10:09:45,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL 2025-08-31T10:09:45,503 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL 2025-08-31T10:09:45,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL 2025-08-31T10:09:45,507 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL 2025-08-31T10:09:45,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A 2025-08-31T10:09:45,510 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A 2025-08-31T10:09:45,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A 2025-08-31T10:09:45,513 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A 2025-08-31T10:09:45,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B 2025-08-31T10:09:45,517 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B 2025-08-31T10:09:45,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B 2025-08-31T10:09:45,520 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B 2025-08-31T10:09:45,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A 2025-08-31T10:09:45,524 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A 2025-08-31T10:09:45,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A 2025-08-31T10:09:45,527 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A 2025-08-31T10:09:45,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B 2025-08-31T10:09:45,531 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B 2025-08-31T10:09:45,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N 2025-08-31T10:09:45,534 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N 2025-08-31T10:09:45,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A 2025-08-31T10:09:45,538 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A 2025-08-31T10:09:45,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B 2025-08-31T10:09:45,541 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B 2025-08-31T10:09:45,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A 2025-08-31T10:09:45,544 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A 2025-08-31T10:09:45,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B 2025-08-31T10:09:45,548 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B 2025-08-31T10:09:45,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A 2025-08-31T10:09:45,551 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A 2025-08-31T10:09:45,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N 2025-08-31T10:09:45,555 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N 2025-08-31T10:09:45,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B 2025-08-31T10:09:45,558 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B 2025-08-31T10:09:45,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A 2025-08-31T10:09:45,561 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A 2025-08-31T10:09:45,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B 2025-08-31T10:09:45,565 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B 2025-08-31T10:09:45,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N 2025-08-31T10:09:45,568 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N 2025-08-31T10:09:45,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O 2025-08-31T10:09:45,572 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O 2025-08-31T10:09:45,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O 2025-08-31T10:09:45,575 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O 2025-08-31T10:09:45,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B 2025-08-31T10:09:45,579 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B 2025-08-31T10:09:45,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O 2025-08-31T10:09:45,582 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O 2025-08-31T10:09:45,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B 2025-08-31T10:09:45,585 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B 2025-08-31T10:09:45,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21 2025-08-31T10:09:45,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A 2025-08-31T10:09:45,591 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A 2025-08-31T10:09:45,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A 2025-08-31T10:09:45,594 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A 2025-08-31T10:09:45,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A 2025-08-31T10:09:45,598 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A 2025-08-31T10:09:45,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4 2025-08-31T10:09:45,601 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4 2025-08-31T10:09:45,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B 2025-08-31T10:09:45,605 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B 2025-08-31T10:09:45,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8 2025-08-31T10:09:45,608 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8 2025-08-31T10:09:45,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A 2025-08-31T10:09:45,612 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A 2025-08-31T10:09:45,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B 2025-08-31T10:09:45,616 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B 2025-08-31T10:09:45,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3 2025-08-31T10:09:45,619 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3 2025-08-31T10:09:45,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B 2025-08-31T10:09:45,623 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B 2025-08-31T10:09:45,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A 2025-08-31T10:09:45,626 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A 2025-08-31T10:09:45,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10 2025-08-31T10:09:45,630 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10 2025-08-31T10:09:45,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A 2025-08-31T10:09:45,633 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A 2025-08-31T10:09:45,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18 2025-08-31T10:09:45,637 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18 2025-08-31T10:09:45,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16 2025-08-31T10:09:45,640 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16 2025-08-31T10:09:45,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7 2025-08-31T10:09:45,644 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7 2025-08-31T10:09:45,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B 2025-08-31T10:09:45,647 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B 2025-08-31T10:09:45,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A 2025-08-31T10:09:45,651 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A 2025-08-31T10:09:45,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B 2025-08-31T10:09:45,655 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B 2025-08-31T10:09:45,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21 2025-08-31T10:09:45,660 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21 2025-08-31T10:09:45,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B 2025-08-31T10:09:45,664 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B 2025-08-31T10:09:45,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13 2025-08-31T10:09:45,667 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13 2025-08-31T10:09:45,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B 2025-08-31T10:09:45,671 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B 2025-08-31T10:09:45,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B 2025-08-31T10:09:45,674 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B 2025-08-31T10:09:45,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6 2025-08-31T10:09:45,677 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6 2025-08-31T10:09:45,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A 2025-08-31T10:09:45,681 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A 2025-08-31T10:09:45,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B 2025-08-31T10:09:45,684 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B 2025-08-31T10:09:45,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14 2025-08-31T10:09:45,687 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14 2025-08-31T10:09:45,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1 2025-08-31T10:09:45,691 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1 2025-08-31T10:09:45,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A 2025-08-31T10:09:45,694 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A 2025-08-31T10:09:45,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15 2025-08-31T10:09:45,697 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15 2025-08-31T10:09:45,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B 2025-08-31T10:09:45,701 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B 2025-08-31T10:09:45,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A 2025-08-31T10:09:45,704 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A 2025-08-31T10:09:45,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19 2025-08-31T10:09:45,708 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19 2025-08-31T10:09:45,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A 2025-08-31T10:09:45,712 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A 2025-08-31T10:09:45,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B 2025-08-31T10:09:45,715 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B 2025-08-31T10:09:45,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B 2025-08-31T10:09:45,719 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B 2025-08-31T10:09:45,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B 2025-08-31T10:09:45,722 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B 2025-08-31T10:09:45,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2 2025-08-31T10:09:45,725 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2 2025-08-31T10:09:45,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20 2025-08-31T10:09:45,728 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20 2025-08-31T10:09:45,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B 2025-08-31T10:09:45,732 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B 2025-08-31T10:09:45,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5 2025-08-31T10:09:45,735 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5 2025-08-31T10:09:45,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A 2025-08-31T10:09:45,739 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A 2025-08-31T10:09:45,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A 2025-08-31T10:09:45,742 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A 2025-08-31T10:09:45,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B 2025-08-31T10:09:45,746 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B 2025-08-31T10:09:45,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A 2025-08-31T10:09:45,750 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A 2025-08-31T10:09:45,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B 2025-08-31T10:09:45,753 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B 2025-08-31T10:09:45,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A 2025-08-31T10:09:45,757 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A 2025-08-31T10:09:45,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B 2025-08-31T10:09:45,760 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B 2025-08-31T10:09:45,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A 2025-08-31T10:09:45,764 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A 2025-08-31T10:09:45,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A 2025-08-31T10:09:45,768 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A 2025-08-31T10:09:45,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12 2025-08-31T10:09:45,771 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12 2025-08-31T10:09:45,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17 2025-08-31T10:09:45,775 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17 2025-08-31T10:09:45,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A 2025-08-31T10:09:45,778 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A 2025-08-31T10:09:45,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B 2025-08-31T10:09:45,782 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B 2025-08-31T10:09:45,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9 2025-08-31T10:09:45,785 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9 2025-08-31T10:09:45,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A 2025-08-31T10:09:45,788 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A 2025-08-31T10:09:45,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B 2025-08-31T10:09:45,792 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B 2025-08-31T10:09:45,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A 2025-08-31T10:09:45,796 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A 2025-08-31T10:09:45,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B 2025-08-31T10:09:45,800 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B 2025-08-31T10:09:45,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A 2025-08-31T10:09:45,804 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A 2025-08-31T10:09:45,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B 2025-08-31T10:09:45,808 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B 2025-08-31T10:09:45,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11 2025-08-31T10:09:45,811 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11 2025-08-31T10:09:45,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11 2025-08-31T10:09:45,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl 2025-08-31T10:09:45,819 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl 2025-08-31T10:09:45,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal 2025-08-31T10:09:45,822 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal 2025-08-31T10:09:45,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn 2025-08-31T10:09:45,826 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn 2025-08-31T10:09:45,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh 2025-08-31T10:09:45,829 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh 2025-08-31T10:09:45,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2 2025-08-31T10:09:45,833 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2 2025-08-31T10:09:45,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4 2025-08-31T10:09:45,836 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4 2025-08-31T10:09:45,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh 2025-08-31T10:09:45,839 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh 2025-08-31T10:09:45,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2 2025-08-31T10:09:45,843 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2 2025-08-31T10:09:45,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2 2025-08-31T10:09:45,846 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2 2025-08-31T10:09:45,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs 2025-08-31T10:09:45,850 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs 2025-08-31T10:09:45,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4 2025-08-31T10:09:45,853 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4 2025-08-31T10:09:45,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh 2025-08-31T10:09:45,857 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh 2025-08-31T10:09:45,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc 2025-08-31T10:09:45,860 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc 2025-08-31T10:09:45,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p 2025-08-31T10:09:45,863 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p 2025-08-31T10:09:45,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o 2025-08-31T10:09:45,867 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o 2025-08-31T10:09:45,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn 2025-08-31T10:09:45,870 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn 2025-08-31T10:09:45,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2 2025-08-31T10:09:45,874 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2 2025-08-31T10:09:45,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh 2025-08-31T10:09:45,877 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh 2025-08-31T10:09:45,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2 2025-08-31T10:09:45,881 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2 2025-08-31T10:09:45,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh 2025-08-31T10:09:45,885 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh 2025-08-31T10:09:45,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf 2025-08-31T10:09:45,888 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf 2025-08-31T10:09:45,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c 2025-08-31T10:09:45,892 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c 2025-08-31T10:09:45,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no 2025-08-31T10:09:45,896 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no 2025-08-31T10:09:45,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o 2025-08-31T10:09:45,899 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o 2025-08-31T10:09:45,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al 2025-08-31T10:09:45,903 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al 2025-08-31T10:09:45,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs 2025-08-31T10:09:45,906 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs 2025-08-31T10:09:45,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3 2025-08-31T10:09:45,910 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3 2025-08-31T10:09:45,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn 2025-08-31T10:09:45,913 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn 2025-08-31T10:09:45,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c 2025-08-31T10:09:45,917 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c 2025-08-31T10:09:45,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc 2025-08-31T10:09:45,920 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc 2025-08-31T10:09:45,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be 2025-08-31T10:09:45,924 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be 2025-08-31T10:09:45,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o 2025-08-31T10:09:45,928 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o 2025-08-31T10:09:45,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf 2025-08-31T10:09:45,931 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf 2025-08-31T10:09:45,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6 2025-08-31T10:09:45,935 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6 2025-08-31T10:09:45,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n 2025-08-31T10:09:45,939 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n 2025-08-31T10:09:45,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono 2025-08-31T10:09:45,942 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono 2025-08-31T10:09:45,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif 2025-08-31T10:09:45,946 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif 2025-08-31T10:09:45,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4 2025-08-31T10:09:45,949 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4 2025-08-31T10:09:45,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch 2025-08-31T10:09:45,953 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch 2025-08-31T10:09:45,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde 2025-08-31T10:09:45,956 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde 2025-08-31T10:09:45,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o 2025-08-31T10:09:45,960 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o 2025-08-31T10:09:45,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene 2025-08-31T10:09:45,964 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene 2025-08-31T10:09:45,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2 2025-08-31T10:09:45,967 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2 2025-08-31T10:09:45,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2 2025-08-31T10:09:45,971 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2 2025-08-31T10:09:45,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3 2025-08-31T10:09:45,974 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3 2025-08-31T10:09:45,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s 2025-08-31T10:09:45,978 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s 2025-08-31T10:09:45,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco 2025-08-31T10:09:45,982 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco 2025-08-31T10:09:45,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane 2025-08-31T10:09:45,985 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane 2025-08-31T10:09:45,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2 2025-08-31T10:09:45,988 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2 2025-08-31T10:09:45,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf 2025-08-31T10:09:45,992 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf 2025-08-31T10:09:45,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo 2025-08-31T10:09:45,995 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo 2025-08-31T10:09:45,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4 2025-08-31T10:09:45,999 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4 2025-08-31T10:09:46,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2 2025-08-31T10:09:46,002 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2 2025-08-31T10:09:46,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf 2025-08-31T10:09:46,006 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf 2025-08-31T10:09:46,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2 2025-08-31T10:09:46,010 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2 2025-08-31T10:09:46,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof 2025-08-31T10:09:46,013 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof 2025-08-31T10:09:46,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4 2025-08-31T10:09:46,017 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4 2025-08-31T10:09:46,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f 2025-08-31T10:09:46,020 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f 2025-08-31T10:09:46,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3 2025-08-31T10:09:46,025 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3 2025-08-31T10:09:46,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f 2025-08-31T10:09:46,030 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f 2025-08-31T10:09:46,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic 2025-08-31T10:09:46,034 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic 2025-08-31T10:09:46,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo 2025-08-31T10:09:46,039 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo 2025-08-31T10:09:46,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene 2025-08-31T10:09:46,043 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene 2025-08-31T10:09:46,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh 2025-08-31T10:09:46,047 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh 2025-08-31T10:09:46,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2 2025-08-31T10:09:46,051 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2 2025-08-31T10:09:46,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2 2025-08-31T10:09:46,055 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2 2025-08-31T10:09:46,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol 2025-08-31T10:09:46,059 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol 2025-08-31T10:09:46,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn 2025-08-31T10:09:46,064 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn 2025-08-31T10:09:46,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2 2025-08-31T10:09:46,069 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2 2025-08-31T10:09:46,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof 2025-08-31T10:09:46,073 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof 2025-08-31T10:09:46,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2 2025-08-31T10:09:46,078 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2 2025-08-31T10:09:46,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o 2025-08-31T10:09:46,082 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o 2025-08-31T10:09:46,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f 2025-08-31T10:09:46,086 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f 2025-08-31T10:09:46,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4 2025-08-31T10:09:46,091 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4 2025-08-31T10:09:46,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3 2025-08-31T10:09:46,095 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3 2025-08-31T10:09:46,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2 2025-08-31T10:09:46,099 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2 2025-08-31T10:09:46,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3 2025-08-31T10:09:46,103 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3 2025-08-31T10:09:46,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4 2025-08-31T10:09:46,107 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4 2025-08-31T10:09:46,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi 2025-08-31T10:09:46,112 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi 2025-08-31T10:09:46,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn 2025-08-31T10:09:46,116 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn 2025-08-31T10:09:46,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3 2025-08-31T10:09:46,120 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3 2025-08-31T10:09:46,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn 2025-08-31T10:09:46,123 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn 2025-08-31T10:09:46,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing 2025-08-31T10:09:46,127 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing 2025-08-31T10:09:46,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2 2025-08-31T10:09:46,130 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2 2025-08-31T10:09:46,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3 2025-08-31T10:09:46,134 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3 2025-08-31T10:09:46,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6 2025-08-31T10:09:46,137 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6 2025-08-31T10:09:46,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane 2025-08-31T10:09:46,140 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane 2025-08-31T10:09:46,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2 2025-08-31T10:09:46,143 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2 2025-08-31T10:09:46,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo 2025-08-31T10:09:46,146 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo 2025-08-31T10:09:46,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip 2025-08-31T10:09:46,150 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip 2025-08-31T10:09:46,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn 2025-08-31T10:09:46,153 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn 2025-08-31T10:09:46,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2 2025-08-31T10:09:46,156 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2 2025-08-31T10:09:46,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so 2025-08-31T10:09:46,159 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so 2025-08-31T10:09:46,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co 2025-08-31T10:09:46,163 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co 2025-08-31T10:09:46,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2 2025-08-31T10:09:46,166 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2 2025-08-31T10:09:46,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2 2025-08-31T10:09:46,170 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2 2025-08-31T10:09:46,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s 2025-08-31T10:09:46,173 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s 2025-08-31T10:09:46,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno 2025-08-31T10:09:46,176 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno 2025-08-31T10:09:46,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch 2025-08-31T10:09:46,179 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch 2025-08-31T10:09:46,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol 2025-08-31T10:09:46,182 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol 2025-08-31T10:09:46,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of 2025-08-31T10:09:46,186 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of 2025-08-31T10:09:46,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2 2025-08-31T10:09:46,189 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2 2025-08-31T10:09:46,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl 2025-08-31T10:09:46,193 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl 2025-08-31T10:09:46,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b 2025-08-31T10:09:46,197 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b 2025-08-31T10:09:46,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene 2025-08-31T10:09:46,200 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene 2025-08-31T10:09:46,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh 2025-08-31T10:09:46,204 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh 2025-08-31T10:09:46,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo 2025-08-31T10:09:46,207 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo 2025-08-31T10:09:46,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl 2025-08-31T10:09:46,211 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl 2025-08-31T10:09:46,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno 2025-08-31T10:09:46,215 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno 2025-08-31T10:09:46,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h 2025-08-31T10:09:46,218 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h 2025-08-31T10:09:46,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco 2025-08-31T10:09:46,221 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco 2025-08-31T10:09:46,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch 2025-08-31T10:09:46,225 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch 2025-08-31T10:09:46,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic 2025-08-31T10:09:46,228 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic 2025-08-31T10:09:46,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf 2025-08-31T10:09:46,232 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf 2025-08-31T10:09:46,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2 2025-08-31T10:09:46,235 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2 2025-08-31T10:09:46,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh 2025-08-31T10:09:46,238 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh 2025-08-31T10:09:46,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof 2025-08-31T10:09:46,242 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof 2025-08-31T10:09:46,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f 2025-08-31T10:09:46,245 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f 2025-08-31T10:09:46,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf 2025-08-31T10:09:46,249 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf 2025-08-31T10:09:46,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o 2025-08-31T10:09:46,252 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o 2025-08-31T10:09:46,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si 2025-08-31T10:09:46,256 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si 2025-08-31T10:09:46,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co 2025-08-31T10:09:46,259 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co 2025-08-31T10:09:46,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs 2025-08-31T10:09:46,262 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs 2025-08-31T10:09:46,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf 2025-08-31T10:09:46,266 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf 2025-08-31T10:09:46,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2 2025-08-31T10:09:46,269 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2 2025-08-31T10:09:46,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio 2025-08-31T10:09:46,272 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio 2025-08-31T10:09:46,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3 2025-08-31T10:09:46,276 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3 2025-08-31T10:09:46,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2 2025-08-31T10:09:46,279 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2 2025-08-31T10:09:46,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl 2025-08-31T10:09:46,283 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl 2025-08-31T10:09:46,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h 2025-08-31T10:09:46,286 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h 2025-08-31T10:09:46,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6 2025-08-31T10:09:46,290 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6 2025-08-31T10:09:46,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn 2025-08-31T10:09:46,293 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn 2025-08-31T10:09:46,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih 2025-08-31T10:09:46,297 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih 2025-08-31T10:09:46,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3 2025-08-31T10:09:46,300 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3 2025-08-31T10:09:46,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh 2025-08-31T10:09:46,304 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh 2025-08-31T10:09:46,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene 2025-08-31T10:09:46,307 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene 2025-08-31T10:09:46,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3 2025-08-31T10:09:46,311 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3 2025-08-31T10:09:46,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co 2025-08-31T10:09:46,314 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co 2025-08-31T10:09:46,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f 2025-08-31T10:09:46,318 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f 2025-08-31T10:09:46,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane 2025-08-31T10:09:46,321 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane 2025-08-31T10:09:46,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo 2025-08-31T10:09:46,325 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo 2025-08-31T10:09:46,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3 2025-08-31T10:09:46,328 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3 2025-08-31T10:09:46,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh 2025-08-31T10:09:46,331 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh 2025-08-31T10:09:46,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne 2025-08-31T10:09:46,335 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne 2025-08-31T10:09:46,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo 2025-08-31T10:09:46,339 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo 2025-08-31T10:09:46,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2 2025-08-31T10:09:46,342 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2 2025-08-31T10:09:46,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2 2025-08-31T10:09:46,346 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2 2025-08-31T10:09:46,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v 2025-08-31T10:09:46,349 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v 2025-08-31T10:09:46,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh 2025-08-31T10:09:46,353 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh 2025-08-31T10:09:46,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl 2025-08-31T10:09:46,356 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl 2025-08-31T10:09:46,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono 2025-08-31T10:09:46,360 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono 2025-08-31T10:09:46,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2 2025-08-31T10:09:46,363 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2 2025-08-31T10:09:46,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16 2025-08-31T10:09:46,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B 2025-08-31T10:09:46,369 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B 2025-08-31T10:09:46,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227 2025-08-31T10:09:46,372 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227 2025-08-31T10:09:46,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147 2025-08-31T10:09:46,376 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147 2025-08-31T10:09:46,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B 2025-08-31T10:09:46,379 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B 2025-08-31T10:09:46,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A 2025-08-31T10:09:46,383 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A 2025-08-31T10:09:46,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150 2025-08-31T10:09:46,387 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150 2025-08-31T10:09:46,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B 2025-08-31T10:09:46,390 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B 2025-08-31T10:09:46,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A 2025-08-31T10:09:46,393 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A 2025-08-31T10:09:46,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B 2025-08-31T10:09:46,397 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B 2025-08-31T10:09:46,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A 2025-08-31T10:09:46,400 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A 2025-08-31T10:09:46,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A 2025-08-31T10:09:46,404 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A 2025-08-31T10:09:46,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B 2025-08-31T10:09:46,407 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B 2025-08-31T10:09:46,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A 2025-08-31T10:09:46,411 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A 2025-08-31T10:09:46,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B 2025-08-31T10:09:46,415 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B 2025-08-31T10:09:46,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187 2025-08-31T10:09:46,418 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187 2025-08-31T10:09:46,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229 2025-08-31T10:09:46,422 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229 2025-08-31T10:09:46,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A 2025-08-31T10:09:46,426 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A 2025-08-31T10:09:46,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B 2025-08-31T10:09:46,429 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B 2025-08-31T10:09:46,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152 2025-08-31T10:09:46,433 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152 2025-08-31T10:09:46,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148 2025-08-31T10:09:46,436 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148 2025-08-31T10:09:46,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A 2025-08-31T10:09:46,440 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A 2025-08-31T10:09:46,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B 2025-08-31T10:09:46,443 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B 2025-08-31T10:09:46,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212 2025-08-31T10:09:46,446 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212 2025-08-31T10:09:46,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B 2025-08-31T10:09:46,449 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B 2025-08-31T10:09:46,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B 2025-08-31T10:09:46,453 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B 2025-08-31T10:09:46,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A 2025-08-31T10:09:46,456 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A 2025-08-31T10:09:46,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228 2025-08-31T10:09:46,459 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228 2025-08-31T10:09:46,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144 2025-08-31T10:09:46,462 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144 2025-08-31T10:09:46,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A 2025-08-31T10:09:46,466 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A 2025-08-31T10:09:46,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B 2025-08-31T10:09:46,469 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B 2025-08-31T10:09:46,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A 2025-08-31T10:09:46,472 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A 2025-08-31T10:09:46,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231 2025-08-31T10:09:46,476 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231 2025-08-31T10:09:46,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A 2025-08-31T10:09:46,480 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A 2025-08-31T10:09:46,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A 2025-08-31T10:09:46,483 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A 2025-08-31T10:09:46,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008 2025-08-31T10:09:46,486 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008 2025-08-31T10:09:46,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B 2025-08-31T10:09:46,489 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B 2025-08-31T10:09:46,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B 2025-08-31T10:09:46,492 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B 2025-08-31T10:09:46,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A 2025-08-31T10:09:46,496 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A 2025-08-31T10:09:46,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230 2025-08-31T10:09:46,499 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230 2025-08-31T10:09:46,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A 2025-08-31T10:09:46,502 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A 2025-08-31T10:09:46,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A 2025-08-31T10:09:46,506 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A 2025-08-31T10:09:46,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A 2025-08-31T10:09:46,509 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A 2025-08-31T10:09:46,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B 2025-08-31T10:09:46,513 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B 2025-08-31T10:09:46,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B 2025-08-31T10:09:46,516 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B 2025-08-31T10:09:46,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202 2025-08-31T10:09:46,519 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202 2025-08-31T10:09:46,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213 2025-08-31T10:09:46,523 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213 2025-08-31T10:09:46,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214 2025-08-31T10:09:46,526 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214 2025-08-31T10:09:46,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B 2025-08-31T10:09:46,529 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B 2025-08-31T10:09:46,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18 2025-08-31T10:09:46,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3 2025-08-31T10:09:46,534 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3 2025-08-31T10:09:46,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22 2025-08-31T10:09:46,537 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22 2025-08-31T10:09:46,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3 2025-08-31T10:09:46,541 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3 2025-08-31T10:09:46,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22 2025-08-31T10:09:46,544 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22 2025-08-31T10:09:46,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3 2025-08-31T10:09:46,547 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3 2025-08-31T10:09:46,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2 2025-08-31T10:09:46,550 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2 2025-08-31T10:09:46,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2 2025-08-31T10:09:46,554 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2 2025-08-31T10:09:46,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2 2025-08-31T10:09:46,557 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2 2025-08-31T10:09:46,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2 2025-08-31T10:09:46,560 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2 2025-08-31T10:09:46,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22 2025-08-31T10:09:46,564 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22 2025-08-31T10:09:46,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2 2025-08-31T10:09:46,567 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2 2025-08-31T10:09:46,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s 2025-08-31T10:09:46,571 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s 2025-08-31T10:09:46,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22 2025-08-31T10:09:46,574 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22 2025-08-31T10:09:46,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s 2025-08-31T10:09:46,578 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s 2025-08-31T10:09:46,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2 2025-08-31T10:09:46,581 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2 2025-08-31T10:09:46,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22 2025-08-31T10:09:46,585 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22 2025-08-31T10:09:46,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22 2025-08-31T10:09:46,588 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22 2025-08-31T10:09:46,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3 2025-08-31T10:09:46,592 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3 2025-08-31T10:09:46,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22 2025-08-31T10:09:46,595 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22 2025-08-31T10:09:46,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2 2025-08-31T10:09:46,599 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2 2025-08-31T10:09:46,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2 2025-08-31T10:09:46,602 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2 2025-08-31T10:09:46,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s 2025-08-31T10:09:46,605 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s 2025-08-31T10:09:46,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3 2025-08-31T10:09:46,609 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3 2025-08-31T10:09:46,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22 2025-08-31T10:09:46,612 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22 2025-08-31T10:09:46,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22 2025-08-31T10:09:46,616 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22 2025-08-31T10:09:46,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2 2025-08-31T10:09:46,619 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2 2025-08-31T10:09:46,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3 2025-08-31T10:09:46,623 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3 2025-08-31T10:09:46,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2 2025-08-31T10:09:46,626 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2 2025-08-31T10:09:46,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22 2025-08-31T10:09:46,630 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22 2025-08-31T10:09:46,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11 2025-08-31T10:09:46,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3 2025-08-31T10:09:46,635 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3 2025-08-31T10:09:46,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2 2025-08-31T10:09:46,639 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2 2025-08-31T10:09:46,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh 2025-08-31T10:09:46,642 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh 2025-08-31T10:09:46,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2 2025-08-31T10:09:46,646 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2 2025-08-31T10:09:46,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6 2025-08-31T10:09:46,649 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6 2025-08-31T10:09:46,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2 2025-08-31T10:09:46,653 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2 2025-08-31T10:09:46,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4 2025-08-31T10:09:46,656 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4 2025-08-31T10:09:46,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme 2025-08-31T10:09:46,660 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme 2025-08-31T10:09:46,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2 2025-08-31T10:09:46,663 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2 2025-08-31T10:09:46,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2 2025-08-31T10:09:46,667 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2 2025-08-31T10:09:46,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6 2025-08-31T10:09:46,670 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6 2025-08-31T10:09:46,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3 2025-08-31T10:09:46,674 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3 2025-08-31T10:09:46,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br 2025-08-31T10:09:46,677 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br 2025-08-31T10:09:46,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4 2025-08-31T10:09:46,681 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4 2025-08-31T10:09:46,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl 2025-08-31T10:09:46,684 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl 2025-08-31T10:09:46,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4 2025-08-31T10:09:46,687 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4 2025-08-31T10:09:46,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3 2025-08-31T10:09:46,691 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3 2025-08-31T10:09:46,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6 2025-08-31T10:09:46,694 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6 2025-08-31T10:09:46,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2 2025-08-31T10:09:46,698 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2 2025-08-31T10:09:46,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2 2025-08-31T10:09:46,701 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2 2025-08-31T10:09:46,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2 2025-08-31T10:09:46,705 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2 2025-08-31T10:09:46,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh 2025-08-31T10:09:46,709 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh 2025-08-31T10:09:46,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36 2025-08-31T10:09:46,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1 2025-08-31T10:09:46,714 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1 2025-08-31T10:09:46,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14 2025-08-31T10:09:46,718 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14 2025-08-31T10:09:46,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4 2025-08-31T10:09:46,721 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4 2025-08-31T10:09:46,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16 2025-08-31T10:09:46,725 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16 2025-08-31T10:09:46,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11 2025-08-31T10:09:46,729 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11 2025-08-31T10:09:46,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1 2025-08-31T10:09:46,732 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1 2025-08-31T10:09:46,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7 2025-08-31T10:09:46,736 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7 2025-08-31T10:09:46,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9 2025-08-31T10:09:46,739 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9 2025-08-31T10:09:46,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15 2025-08-31T10:09:46,743 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15 2025-08-31T10:09:46,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9 2025-08-31T10:09:46,746 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9 2025-08-31T10:09:46,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3 2025-08-31T10:09:46,750 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3 2025-08-31T10:09:46,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15 2025-08-31T10:09:46,754 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15 2025-08-31T10:09:46,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13 2025-08-31T10:09:46,757 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13 2025-08-31T10:09:46,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4 2025-08-31T10:09:46,761 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4 2025-08-31T10:09:46,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12 2025-08-31T10:09:46,764 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12 2025-08-31T10:09:46,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8 2025-08-31T10:09:46,768 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8 2025-08-31T10:09:46,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6 2025-08-31T10:09:46,771 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6 2025-08-31T10:09:46,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2 2025-08-31T10:09:46,775 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2 2025-08-31T10:09:46,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4 2025-08-31T10:09:46,778 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4 2025-08-31T10:09:46,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1 2025-08-31T10:09:46,782 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1 2025-08-31T10:09:46,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14 2025-08-31T10:09:46,785 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14 2025-08-31T10:09:46,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10 2025-08-31T10:09:46,789 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10 2025-08-31T10:09:46,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3 2025-08-31T10:09:46,792 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3 2025-08-31T10:09:46,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3 2025-08-31T10:09:46,796 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3 2025-08-31T10:09:46,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13 2025-08-31T10:09:46,800 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13 2025-08-31T10:09:46,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4 2025-08-31T10:09:46,803 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4 2025-08-31T10:09:46,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7 2025-08-31T10:09:46,807 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7 2025-08-31T10:09:46,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5 2025-08-31T10:09:46,810 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5 2025-08-31T10:09:46,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5 2025-08-31T10:09:46,814 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5 2025-08-31T10:09:46,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11 2025-08-31T10:09:46,817 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11 2025-08-31T10:09:46,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8 2025-08-31T10:09:46,821 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8 2025-08-31T10:09:46,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6 2025-08-31T10:09:46,824 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6 2025-08-31T10:09:46,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10 2025-08-31T10:09:46,828 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10 2025-08-31T10:09:46,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2 2025-08-31T10:09:46,831 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2 2025-08-31T10:09:46,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5 2025-08-31T10:09:46,835 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5 2025-08-31T10:09:46,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12 2025-08-31T10:09:46,838 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12 2025-08-31T10:09:46,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6 2025-08-31T10:09:46,842 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6 2025-08-31T10:09:46,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2 2025-08-31T10:09:46,845 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2 2025-08-31T10:09:46,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8 2025-08-31T10:09:46,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8 2025-08-31T10:09:46,851 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8 2025-08-31T10:09:46,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h 2025-08-31T10:09:46,854 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h 2025-08-31T10:09:46,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4 2025-08-31T10:09:46,858 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4 2025-08-31T10:09:46,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+ 2025-08-31T10:09:46,862 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+ 2025-08-31T10:09:46,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4 2025-08-31T10:09:46,865 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4 2025-08-31T10:09:46,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2 2025-08-31T10:09:46,869 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2 2025-08-31T10:09:46,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me 2025-08-31T10:09:46,872 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me 2025-08-31T10:09:46,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2 2025-08-31T10:09:46,876 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2 2025-08-31T10:09:46,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+ 2025-08-31T10:09:46,879 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+ 2025-08-31T10:09:46,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2 2025-08-31T10:09:46,883 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2 2025-08-31T10:09:46,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c 2025-08-31T10:09:46,886 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c 2025-08-31T10:09:46,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2 2025-08-31T10:09:46,890 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2 2025-08-31T10:09:46,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch 2025-08-31T10:09:46,893 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch 2025-08-31T10:09:46,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n 2025-08-31T10:09:46,897 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n 2025-08-31T10:09:46,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2 2025-08-31T10:09:46,901 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2 2025-08-31T10:09:46,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me 2025-08-31T10:09:46,907 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me 2025-08-31T10:09:46,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8 2025-08-31T10:09:46,910 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8 2025-08-31T10:09:46,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18 2025-08-31T10:09:46,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o 2025-08-31T10:09:46,916 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o 2025-08-31T10:09:46,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4 2025-08-31T10:09:46,919 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4 2025-08-31T10:09:46,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1 2025-08-31T10:09:46,923 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1 2025-08-31T10:09:46,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o 2025-08-31T10:09:46,926 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o 2025-08-31T10:09:46,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4 2025-08-31T10:09:46,930 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4 2025-08-31T10:09:46,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o 2025-08-31T10:09:46,933 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o 2025-08-31T10:09:46,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3 2025-08-31T10:09:46,937 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3 2025-08-31T10:09:46,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o 2025-08-31T10:09:46,940 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o 2025-08-31T10:09:46,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o 2025-08-31T10:09:46,943 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o 2025-08-31T10:09:46,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8 2025-08-31T10:09:46,947 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8 2025-08-31T10:09:46,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1 2025-08-31T10:09:46,950 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1 2025-08-31T10:09:46,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9 2025-08-31T10:09:46,954 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9 2025-08-31T10:09:46,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o 2025-08-31T10:09:46,957 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o 2025-08-31T10:09:46,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5 2025-08-31T10:09:46,960 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5 2025-08-31T10:09:46,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2 2025-08-31T10:09:46,963 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2 2025-08-31T10:09:46,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7 2025-08-31T10:09:46,967 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7 2025-08-31T10:09:46,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6 2025-08-31T10:09:46,970 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6 2025-08-31T10:09:46,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o 2025-08-31T10:09:46,974 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o 2025-08-31T10:09:46,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o 2025-08-31T10:09:46,978 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o 2025-08-31T10:09:46,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3 2025-08-31T10:09:46,981 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3 2025-08-31T10:09:46,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o 2025-08-31T10:09:46,984 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o 2025-08-31T10:09:46,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6 2025-08-31T10:09:46,988 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6 2025-08-31T10:09:46,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o 2025-08-31T10:09:46,991 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o 2025-08-31T10:09:46,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2 2025-08-31T10:09:46,994 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2 2025-08-31T10:09:46,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8 2025-08-31T10:09:46,998 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8 2025-08-31T10:09:47,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9 2025-08-31T10:09:47,001 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9 2025-08-31T10:09:47,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5 2025-08-31T10:09:47,004 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5 2025-08-31T10:09:47,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7 2025-08-31T10:09:47,008 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7 2025-08-31T10:09:47,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43 2025-08-31T10:09:47,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02 2025-08-31T10:09:47,013 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02 2025-08-31T10:09:47,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23 2025-08-31T10:09:47,017 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23 2025-08-31T10:09:47,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08 2025-08-31T10:09:47,020 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08 2025-08-31T10:09:47,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2 2025-08-31T10:09:47,023 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2 2025-08-31T10:09:47,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30 2025-08-31T10:09:47,027 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30 2025-08-31T10:09:47,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2 2025-08-31T10:09:47,030 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2 2025-08-31T10:09:47,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29 2025-08-31T10:09:47,034 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29 2025-08-31T10:09:47,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06 2025-08-31T10:09:47,037 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06 2025-08-31T10:09:47,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3 2025-08-31T10:09:47,041 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3 2025-08-31T10:09:47,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2 2025-08-31T10:09:47,044 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2 2025-08-31T10:09:47,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42 2025-08-31T10:09:47,047 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42 2025-08-31T10:09:47,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10 2025-08-31T10:09:47,050 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10 2025-08-31T10:09:47,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34 2025-08-31T10:09:47,054 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34 2025-08-31T10:09:47,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2 2025-08-31T10:09:47,057 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2 2025-08-31T10:09:47,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22 2025-08-31T10:09:47,060 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22 2025-08-31T10:09:47,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18 2025-08-31T10:09:47,064 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18 2025-08-31T10:09:47,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16 2025-08-31T10:09:47,067 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16 2025-08-31T10:09:47,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04 2025-08-31T10:09:47,070 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04 2025-08-31T10:09:47,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37 2025-08-31T10:09:47,074 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37 2025-08-31T10:09:47,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40 2025-08-31T10:09:47,077 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40 2025-08-31T10:09:47,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09 2025-08-31T10:09:47,081 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09 2025-08-31T10:09:47,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28 2025-08-31T10:09:47,084 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28 2025-08-31T10:09:47,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36 2025-08-31T10:09:47,087 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36 2025-08-31T10:09:47,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21 2025-08-31T10:09:47,091 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21 2025-08-31T10:09:47,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13 2025-08-31T10:09:47,094 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13 2025-08-31T10:09:47,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4 2025-08-31T10:09:47,097 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4 2025-08-31T10:09:47,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25 2025-08-31T10:09:47,101 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25 2025-08-31T10:09:47,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32 2025-08-31T10:09:47,104 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32 2025-08-31T10:09:47,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41 2025-08-31T10:09:47,108 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41 2025-08-31T10:09:47,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14 2025-08-31T10:09:47,111 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14 2025-08-31T10:09:47,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15 2025-08-31T10:09:47,115 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15 2025-08-31T10:09:47,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2 2025-08-31T10:09:47,118 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2 2025-08-31T10:09:47,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38 2025-08-31T10:09:47,121 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38 2025-08-31T10:09:47,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24 2025-08-31T10:09:47,125 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24 2025-08-31T10:09:47,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19 2025-08-31T10:09:47,128 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19 2025-08-31T10:09:47,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01 2025-08-31T10:09:47,131 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01 2025-08-31T10:09:47,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2 2025-08-31T10:09:47,135 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2 2025-08-31T10:09:47,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31 2025-08-31T10:09:47,138 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31 2025-08-31T10:09:47,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4 2025-08-31T10:09:47,141 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4 2025-08-31T10:09:47,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26 2025-08-31T10:09:47,145 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26 2025-08-31T10:09:47,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03 2025-08-31T10:09:47,148 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03 2025-08-31T10:09:47,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20 2025-08-31T10:09:47,152 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20 2025-08-31T10:09:47,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43 2025-08-31T10:09:47,155 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43 2025-08-31T10:09:47,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH 2025-08-31T10:09:47,158 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH 2025-08-31T10:09:47,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33 2025-08-31T10:09:47,162 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33 2025-08-31T10:09:47,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12 2025-08-31T10:09:47,165 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12 2025-08-31T10:09:47,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17 2025-08-31T10:09:47,168 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17 2025-08-31T10:09:47,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH 2025-08-31T10:09:47,172 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH 2025-08-31T10:09:47,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35 2025-08-31T10:09:47,175 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35 2025-08-31T10:09:47,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2 2025-08-31T10:09:47,178 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2 2025-08-31T10:09:47,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39 2025-08-31T10:09:47,182 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39 2025-08-31T10:09:47,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2 2025-08-31T10:09:47,185 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2 2025-08-31T10:09:47,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05 2025-08-31T10:09:47,189 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05 2025-08-31T10:09:47,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3 2025-08-31T10:09:47,192 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3 2025-08-31T10:09:47,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2 2025-08-31T10:09:47,195 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2 2025-08-31T10:09:47,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07 2025-08-31T10:09:47,199 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07 2025-08-31T10:09:47,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11 2025-08-31T10:09:47,202 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11 2025-08-31T10:09:47,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27 2025-08-31T10:09:47,206 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27 2025-08-31T10:09:47,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18 2025-08-31T10:09:47,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3 2025-08-31T10:09:47,211 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3 2025-08-31T10:09:47,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar 2025-08-31T10:09:47,214 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar 2025-08-31T10:09:47,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2 2025-08-31T10:09:47,218 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2 2025-08-31T10:09:47,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr 2025-08-31T10:09:47,221 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr 2025-08-31T10:09:47,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr 2025-08-31T10:09:47,224 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr 2025-08-31T10:09:47,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2 2025-08-31T10:09:47,228 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2 2025-08-31T10:09:47,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar 2025-08-31T10:09:47,231 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar 2025-08-31T10:09:47,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2 2025-08-31T10:09:47,235 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2 2025-08-31T10:09:47,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf 2025-08-31T10:09:47,238 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf 2025-08-31T10:09:47,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne 2025-08-31T10:09:47,242 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne 2025-08-31T10:09:47,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3 2025-08-31T10:09:47,245 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3 2025-08-31T10:09:47,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr 2025-08-31T10:09:47,249 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr 2025-08-31T10:09:47,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne 2025-08-31T10:09:47,252 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne 2025-08-31T10:09:47,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4 2025-08-31T10:09:47,255 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4 2025-08-31T10:09:47,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz 2025-08-31T10:09:47,258 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz 2025-08-31T10:09:47,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4 2025-08-31T10:09:47,262 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4 2025-08-31T10:09:47,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe 2025-08-31T10:09:47,266 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe 2025-08-31T10:09:47,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2 2025-08-31T10:09:47,269 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2 2025-08-31T10:09:47,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6 2025-08-31T10:09:47,273 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6 2025-08-31T10:09:47,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe 2025-08-31T10:09:47,276 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe 2025-08-31T10:09:47,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3 2025-08-31T10:09:47,280 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3 2025-08-31T10:09:47,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr 2025-08-31T10:09:47,284 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr 2025-08-31T10:09:47,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6 2025-08-31T10:09:47,287 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6 2025-08-31T10:09:47,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne 2025-08-31T10:09:47,291 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne 2025-08-31T10:09:47,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar 2025-08-31T10:09:47,294 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar 2025-08-31T10:09:47,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28 2025-08-31T10:09:47,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr 2025-08-31T10:09:47,299 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr 2025-08-31T10:09:47,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4 2025-08-31T10:09:47,303 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4 2025-08-31T10:09:47,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3 2025-08-31T10:09:47,306 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3 2025-08-31T10:09:47,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o 2025-08-31T10:09:47,309 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o 2025-08-31T10:09:47,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3 2025-08-31T10:09:47,313 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3 2025-08-31T10:09:47,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2 2025-08-31T10:09:47,316 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2 2025-08-31T10:09:47,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl 2025-08-31T10:09:47,320 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl 2025-08-31T10:09:47,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o 2025-08-31T10:09:47,323 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o 2025-08-31T10:09:47,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi 2025-08-31T10:09:47,327 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi 2025-08-31T10:09:47,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3 2025-08-31T10:09:47,330 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3 2025-08-31T10:09:47,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3 2025-08-31T10:09:47,334 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3 2025-08-31T10:09:47,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi 2025-08-31T10:09:47,337 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi 2025-08-31T10:09:47,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o 2025-08-31T10:09:47,340 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o 2025-08-31T10:09:47,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr 2025-08-31T10:09:47,343 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr 2025-08-31T10:09:47,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2 2025-08-31T10:09:47,347 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2 2025-08-31T10:09:47,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi 2025-08-31T10:09:47,350 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi 2025-08-31T10:09:47,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s 2025-08-31T10:09:47,354 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s 2025-08-31T10:09:47,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s 2025-08-31T10:09:47,357 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s 2025-08-31T10:09:47,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr 2025-08-31T10:09:47,361 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr 2025-08-31T10:09:47,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr 2025-08-31T10:09:47,364 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr 2025-08-31T10:09:47,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2 2025-08-31T10:09:47,368 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2 2025-08-31T10:09:47,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi 2025-08-31T10:09:47,371 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi 2025-08-31T10:09:47,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl 2025-08-31T10:09:47,375 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl 2025-08-31T10:09:47,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s 2025-08-31T10:09:47,378 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s 2025-08-31T10:09:47,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3 2025-08-31T10:09:47,382 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3 2025-08-31T10:09:47,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2 2025-08-31T10:09:47,385 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2 2025-08-31T10:09:47,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2 2025-08-31T10:09:47,389 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2 2025-08-31T10:09:47,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3 2025-08-31T10:09:47,392 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3 2025-08-31T10:09:47,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl 2025-08-31T10:09:47,396 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl 2025-08-31T10:09:47,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi 2025-08-31T10:09:47,399 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi 2025-08-31T10:09:47,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr 2025-08-31T10:09:47,402 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr 2025-08-31T10:09:47,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o 2025-08-31T10:09:47,406 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o 2025-08-31T10:09:47,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o 2025-08-31T10:09:47,409 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o 2025-08-31T10:09:47,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s 2025-08-31T10:09:47,413 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s 2025-08-31T10:09:47,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl 2025-08-31T10:09:47,416 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl 2025-08-31T10:09:47,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl 2025-08-31T10:09:47,420 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl 2025-08-31T10:09:47,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3 2025-08-31T10:09:47,423 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3 2025-08-31T10:09:47,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2 2025-08-31T10:09:47,426 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2 2025-08-31T10:09:47,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF 2025-08-31T10:09:47,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3 2025-08-31T10:09:47,432 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3 2025-08-31T10:09:47,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2 2025-08-31T10:09:47,436 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2 2025-08-31T10:09:47,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2 2025-08-31T10:09:47,439 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2 2025-08-31T10:09:47,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1 2025-08-31T10:09:47,443 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1 2025-08-31T10:09:47,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1 2025-08-31T10:09:47,446 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1 2025-08-31T10:09:47,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1 2025-08-31T10:09:47,450 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1 2025-08-31T10:09:47,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3 2025-08-31T10:09:47,453 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3 2025-08-31T10:09:47,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1 2025-08-31T10:09:47,457 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1 2025-08-31T10:09:47,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2 2025-08-31T10:09:47,460 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2 2025-08-31T10:09:47,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3 2025-08-31T10:09:47,463 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3 2025-08-31T10:09:47,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2 2025-08-31T10:09:47,467 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2 2025-08-31T10:09:47,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2 2025-08-31T10:09:47,470 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2 2025-08-31T10:09:47,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2 2025-08-31T10:09:47,474 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2 2025-08-31T10:09:47,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4 2025-08-31T10:09:47,477 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4 2025-08-31T10:09:47,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1 2025-08-31T10:09:47,481 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1 2025-08-31T10:09:47,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2 2025-08-31T10:09:47,485 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2 2025-08-31T10:09:47,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2 2025-08-31T10:09:47,488 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2 2025-08-31T10:09:47,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3 2025-08-31T10:09:47,492 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3 2025-08-31T10:09:47,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1 2025-08-31T10:09:47,495 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1 2025-08-31T10:09:47,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4 2025-08-31T10:09:47,499 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4 2025-08-31T10:09:47,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1 2025-08-31T10:09:47,502 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1 2025-08-31T10:09:47,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1 2025-08-31T10:09:47,506 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1 2025-08-31T10:09:47,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3 2025-08-31T10:09:47,509 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3 2025-08-31T10:09:47,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2 2025-08-31T10:09:47,513 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2 2025-08-31T10:09:47,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2 2025-08-31T10:09:47,516 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2 2025-08-31T10:09:47,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1 2025-08-31T10:09:47,520 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1 2025-08-31T10:09:47,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1 2025-08-31T10:09:47,523 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1 2025-08-31T10:09:47,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24 2025-08-31T10:09:47,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p 2025-08-31T10:09:47,529 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p 2025-08-31T10:09:47,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e 2025-08-31T10:09:47,533 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e 2025-08-31T10:09:47,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e 2025-08-31T10:09:47,537 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e 2025-08-31T10:09:47,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p 2025-08-31T10:09:47,541 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p 2025-08-31T10:09:47,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e 2025-08-31T10:09:47,545 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e 2025-08-31T10:09:47,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p 2025-08-31T10:09:47,549 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p 2025-08-31T10:09:47,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e 2025-08-31T10:09:47,552 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e 2025-08-31T10:09:47,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e 2025-08-31T10:09:47,555 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e 2025-08-31T10:09:47,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p 2025-08-31T10:09:47,560 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p 2025-08-31T10:09:47,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e 2025-08-31T10:09:47,565 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e 2025-08-31T10:09:47,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p 2025-08-31T10:09:47,568 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p 2025-08-31T10:09:47,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p 2025-08-31T10:09:47,571 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p 2025-08-31T10:09:47,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p 2025-08-31T10:09:47,575 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p 2025-08-31T10:09:47,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e 2025-08-31T10:09:47,578 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e 2025-08-31T10:09:47,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e 2025-08-31T10:09:47,582 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e 2025-08-31T10:09:47,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p 2025-08-31T10:09:47,585 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p 2025-08-31T10:09:47,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e 2025-08-31T10:09:47,589 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e 2025-08-31T10:09:47,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p 2025-08-31T10:09:47,592 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p 2025-08-31T10:09:47,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e 2025-08-31T10:09:47,596 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e 2025-08-31T10:09:47,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e 2025-08-31T10:09:47,599 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e 2025-08-31T10:09:47,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e 2025-08-31T10:09:47,603 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e 2025-08-31T10:09:47,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e 2025-08-31T10:09:47,607 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e 2025-08-31T10:09:47,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e 2025-08-31T10:09:47,610 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e 2025-08-31T10:09:47,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e 2025-08-31T10:09:47,614 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e 2025-08-31T10:09:47,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e 2025-08-31T10:09:47,617 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e 2025-08-31T10:09:47,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p 2025-08-31T10:09:47,621 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p 2025-08-31T10:09:47,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e 2025-08-31T10:09:47,624 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e 2025-08-31T10:09:47,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p 2025-08-31T10:09:47,628 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p 2025-08-31T10:09:47,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p 2025-08-31T10:09:47,632 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p 2025-08-31T10:09:47,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p 2025-08-31T10:09:47,635 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p 2025-08-31T10:09:47,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e 2025-08-31T10:09:47,639 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e 2025-08-31T10:09:47,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p 2025-08-31T10:09:47,642 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p 2025-08-31T10:09:47,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p 2025-08-31T10:09:47,646 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p 2025-08-31T10:09:47,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p 2025-08-31T10:09:47,649 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p 2025-08-31T10:09:47,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e 2025-08-31T10:09:47,653 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e 2025-08-31T10:09:47,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p 2025-08-31T10:09:47,656 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p 2025-08-31T10:09:47,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e 2025-08-31T10:09:47,660 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e 2025-08-31T10:09:47,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p 2025-08-31T10:09:47,664 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p 2025-08-31T10:09:47,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p 2025-08-31T10:09:47,667 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p 2025-08-31T10:09:47,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p 2025-08-31T10:09:47,670 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p 2025-08-31T10:09:47,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p 2025-08-31T10:09:47,674 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p 2025-08-31T10:09:47,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e 2025-08-31T10:09:47,677 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e 2025-08-31T10:09:47,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p 2025-08-31T10:09:47,681 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p 2025-08-31T10:09:47,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e 2025-08-31T10:09:47,685 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e 2025-08-31T10:09:47,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p 2025-08-31T10:09:47,688 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p 2025-08-31T10:09:47,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p 2025-08-31T10:09:47,692 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p 2025-08-31T10:09:47,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e 2025-08-31T10:09:47,695 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e 2025-08-31T10:09:47,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e 2025-08-31T10:09:47,699 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e 2025-08-31T10:09:47,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6 2025-08-31T10:09:47,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23 2025-08-31T10:09:47,704 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23 2025-08-31T10:09:47,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A 2025-08-31T10:09:47,707 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A 2025-08-31T10:09:47,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A 2025-08-31T10:09:47,711 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A 2025-08-31T10:09:47,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22 2025-08-31T10:09:47,714 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22 2025-08-31T10:09:47,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A 2025-08-31T10:09:47,718 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A 2025-08-31T10:09:47,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B 2025-08-31T10:09:47,721 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B 2025-08-31T10:09:47,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25 2025-08-31T10:09:47,724 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25 2025-08-31T10:09:47,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A 2025-08-31T10:09:47,728 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A 2025-08-31T10:09:47,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24 2025-08-31T10:09:47,731 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24 2025-08-31T10:09:47,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B 2025-08-31T10:09:47,735 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B 2025-08-31T10:09:47,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26 2025-08-31T10:09:47,738 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26 2025-08-31T10:09:47,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A 2025-08-31T10:09:47,741 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A 2025-08-31T10:09:47,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B 2025-08-31T10:09:47,745 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B 2025-08-31T10:09:47,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B 2025-08-31T10:09:47,748 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B 2025-08-31T10:09:47,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A 2025-08-31T10:09:47,752 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A 2025-08-31T10:09:47,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B 2025-08-31T10:09:47,755 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B 2025-08-31T10:09:47,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B 2025-08-31T10:09:47,759 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B 2025-08-31T10:09:47,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27 2025-08-31T10:09:47,762 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27 2025-08-31T10:09:47,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC 2025-08-31T10:09:47,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F 2025-08-31T10:09:47,767 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F 2025-08-31T10:09:47,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3 2025-08-31T10:09:47,771 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3 2025-08-31T10:09:47,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H 2025-08-31T10:09:47,774 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H 2025-08-31T10:09:47,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3 2025-08-31T10:09:47,778 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3 2025-08-31T10:09:47,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3 2025-08-31T10:09:47,781 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3 2025-08-31T10:09:47,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2 2025-08-31T10:09:47,784 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2 2025-08-31T10:09:47,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2 2025-08-31T10:09:47,787 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2 2025-08-31T10:09:47,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz 2025-08-31T10:09:47,791 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz 2025-08-31T10:09:47,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3 2025-08-31T10:09:47,794 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3 2025-08-31T10:09:47,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut 2025-08-31T10:09:47,797 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut 2025-08-31T10:09:47,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3 2025-08-31T10:09:47,801 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3 2025-08-31T10:09:47,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3 2025-08-31T10:09:47,804 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3 2025-08-31T10:09:47,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch 2025-08-31T10:09:47,808 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch 2025-08-31T10:09:47,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3 2025-08-31T10:09:47,811 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3 2025-08-31T10:09:47,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh 2025-08-31T10:09:47,814 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh 2025-08-31T10:09:47,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3 2025-08-31T10:09:47,817 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3 2025-08-31T10:09:47,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl 2025-08-31T10:09:47,821 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl 2025-08-31T10:09:47,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3 2025-08-31T10:09:47,824 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3 2025-08-31T10:09:47,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3 2025-08-31T10:09:47,828 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3 2025-08-31T10:09:47,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3 2025-08-31T10:09:47,831 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3 2025-08-31T10:09:47,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2 2025-08-31T10:09:47,834 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2 2025-08-31T10:09:47,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4 2025-08-31T10:09:47,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5 2025-08-31T10:09:47,840 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5 2025-08-31T10:09:47,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he 2025-08-31T10:09:47,843 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he 2025-08-31T10:09:47,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75 2025-08-31T10:09:47,846 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75 2025-08-31T10:09:47,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75 2025-08-31T10:09:47,850 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75 2025-08-31T10:09:47,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0 2025-08-31T10:09:47,853 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0 2025-08-31T10:09:47,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o 2025-08-31T10:09:47,857 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o 2025-08-31T10:09:47,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3 2025-08-31T10:09:47,860 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3 2025-08-31T10:09:47,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0 2025-08-31T10:09:47,864 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0 2025-08-31T10:09:47,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75 2025-08-31T10:09:47,867 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75 2025-08-31T10:09:47,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0 2025-08-31T10:09:47,870 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0 2025-08-31T10:09:47,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+ 2025-08-31T10:09:47,874 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+ 2025-08-31T10:09:47,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25 2025-08-31T10:09:47,878 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25 2025-08-31T10:09:47,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5 2025-08-31T10:09:47,881 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5 2025-08-31T10:09:47,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25 2025-08-31T10:09:47,885 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25 2025-08-31T10:09:47,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25 2025-08-31T10:09:47,888 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25 2025-08-31T10:09:47,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0 2025-08-31T10:09:47,892 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0 2025-08-31T10:09:47,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h 2025-08-31T10:09:47,895 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h 2025-08-31T10:09:47,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+ 2025-08-31T10:09:47,899 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+ 2025-08-31T10:09:47,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5 2025-08-31T10:09:47,902 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5 2025-08-31T10:09:47,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25 2025-08-31T10:09:47,905 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25 2025-08-31T10:09:47,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5 2025-08-31T10:09:47,909 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5 2025-08-31T10:09:47,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75 2025-08-31T10:09:47,913 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75 2025-08-31T10:09:47,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+ 2025-08-31T10:09:47,916 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+ 2025-08-31T10:09:47,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23 2025-08-31T10:09:47,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p 2025-08-31T10:09:47,922 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p 2025-08-31T10:09:47,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m 2025-08-31T10:09:47,925 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m 2025-08-31T10:09:47,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a 2025-08-31T10:09:47,929 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a 2025-08-31T10:09:47,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z 2025-08-31T10:09:47,936 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z 2025-08-31T10:09:47,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b 2025-08-31T10:09:47,939 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b 2025-08-31T10:09:47,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e 2025-08-31T10:09:47,943 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e 2025-08-31T10:09:47,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a 2025-08-31T10:09:47,947 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a 2025-08-31T10:09:47,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h 2025-08-31T10:09:47,950 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h 2025-08-31T10:09:47,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a 2025-08-31T10:09:47,954 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a 2025-08-31T10:09:47,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a 2025-08-31T10:09:47,957 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a 2025-08-31T10:09:47,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d 2025-08-31T10:09:47,960 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d 2025-08-31T10:09:47,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g 2025-08-31T10:09:47,964 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g 2025-08-31T10:09:47,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p 2025-08-31T10:09:47,968 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p 2025-08-31T10:09:47,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a 2025-08-31T10:09:47,971 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a 2025-08-31T10:09:47,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a 2025-08-31T10:09:47,975 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a 2025-08-31T10:09:47,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f 2025-08-31T10:09:47,978 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f 2025-08-31T10:09:47,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b 2025-08-31T10:09:47,982 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b 2025-08-31T10:09:47,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p 2025-08-31T10:09:47,985 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p 2025-08-31T10:09:47,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c 2025-08-31T10:09:47,989 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c 2025-08-31T10:09:47,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b 2025-08-31T10:09:47,992 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b 2025-08-31T10:09:47,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d 2025-08-31T10:09:47,996 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d 2025-08-31T10:09:47,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p 2025-08-31T10:09:47,999 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p 2025-08-31T10:09:48,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b 2025-08-31T10:09:48,003 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b 2025-08-31T10:09:48,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa 2025-08-31T10:09:48,007 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa 2025-08-31T10:09:48,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO 2025-08-31T10:09:48,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4 2025-08-31T10:09:48,012 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4 2025-08-31T10:09:48,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8 2025-08-31T10:09:48,016 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8 2025-08-31T10:09:48,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3 2025-08-31T10:09:48,020 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3 2025-08-31T10:09:48,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10 2025-08-31T10:09:48,023 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10 2025-08-31T10:09:48,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7 2025-08-31T10:09:48,027 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7 2025-08-31T10:09:48,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6 2025-08-31T10:09:48,031 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6 2025-08-31T10:09:48,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1 2025-08-31T10:09:48,035 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1 2025-08-31T10:09:48,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2 2025-08-31T10:09:48,038 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2 2025-08-31T10:09:48,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5 2025-08-31T10:09:48,041 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5 2025-08-31T10:09:48,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9 2025-08-31T10:09:48,045 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9 2025-08-31T10:09:48,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15 2025-08-31T10:09:48,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a 2025-08-31T10:09:48,051 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a 2025-08-31T10:09:48,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b 2025-08-31T10:09:48,054 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b 2025-08-31T10:09:48,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a 2025-08-31T10:09:48,058 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a 2025-08-31T10:09:48,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a 2025-08-31T10:09:48,061 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a 2025-08-31T10:09:48,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b 2025-08-31T10:09:48,064 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b 2025-08-31T10:09:48,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b 2025-08-31T10:09:48,068 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b 2025-08-31T10:09:48,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b 2025-08-31T10:09:48,071 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b 2025-08-31T10:09:48,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a 2025-08-31T10:09:48,075 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a 2025-08-31T10:09:48,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a 2025-08-31T10:09:48,078 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a 2025-08-31T10:09:48,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a 2025-08-31T10:09:48,081 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a 2025-08-31T10:09:48,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c 2025-08-31T10:09:48,084 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c 2025-08-31T10:09:48,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d 2025-08-31T10:09:48,088 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d 2025-08-31T10:09:48,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d 2025-08-31T10:09:48,091 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d 2025-08-31T10:09:48,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a 2025-08-31T10:09:48,094 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a 2025-08-31T10:09:48,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a 2025-08-31T10:09:48,098 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a 2025-08-31T10:09:48,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a 2025-08-31T10:09:48,101 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a 2025-08-31T10:09:48,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b 2025-08-31T10:09:48,105 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b 2025-08-31T10:09:48,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b 2025-08-31T10:09:48,108 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b 2025-08-31T10:09:48,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b 2025-08-31T10:09:48,112 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b 2025-08-31T10:09:48,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a 2025-08-31T10:09:48,115 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a 2025-08-31T10:09:48,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b 2025-08-31T10:09:48,118 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b 2025-08-31T10:09:48,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c 2025-08-31T10:09:48,122 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c 2025-08-31T10:09:48,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b 2025-08-31T10:09:48,125 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b 2025-08-31T10:09:48,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b 2025-08-31T10:09:48,128 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b 2025-08-31T10:09:48,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c 2025-08-31T10:09:48,132 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c 2025-08-31T10:09:48,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51 2025-08-31T10:09:48,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2 2025-08-31T10:09:48,138 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2 2025-08-31T10:09:48,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene 2025-08-31T10:09:48,141 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene 2025-08-31T10:09:48,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11 2025-08-31T10:09:48,144 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11 2025-08-31T10:09:48,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S 2025-08-31T10:09:48,148 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S 2025-08-31T10:09:48,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H 2025-08-31T10:09:48,151 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H 2025-08-31T10:09:48,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane 2025-08-31T10:09:48,155 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane 2025-08-31T10:09:48,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane 2025-08-31T10:09:48,158 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane 2025-08-31T10:09:48,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole 2025-08-31T10:09:48,161 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole 2025-08-31T10:09:48,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H 2025-08-31T10:09:48,165 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H 2025-08-31T10:09:48,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3 2025-08-31T10:09:48,168 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3 2025-08-31T10:09:48,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2 2025-08-31T10:09:48,171 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2 2025-08-31T10:09:48,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol 2025-08-31T10:09:48,175 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol 2025-08-31T10:09:48,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole 2025-08-31T10:09:48,178 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole 2025-08-31T10:09:48,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2 2025-08-31T10:09:48,181 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2 2025-08-31T10:09:48,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene 2025-08-31T10:09:48,184 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene 2025-08-31T10:09:48,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole 2025-08-31T10:09:48,188 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole 2025-08-31T10:09:48,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH 2025-08-31T10:09:48,191 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH 2025-08-31T10:09:48,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine 2025-08-31T10:09:48,194 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine 2025-08-31T10:09:48,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene 2025-08-31T10:09:48,198 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene 2025-08-31T10:09:48,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2 2025-08-31T10:09:48,201 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2 2025-08-31T10:09:48,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane 2025-08-31T10:09:48,204 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane 2025-08-31T10:09:48,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene 2025-08-31T10:09:48,208 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene 2025-08-31T10:09:48,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO 2025-08-31T10:09:48,212 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO 2025-08-31T10:09:48,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane 2025-08-31T10:09:48,215 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane 2025-08-31T10:09:48,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2 2025-08-31T10:09:48,219 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2 2025-08-31T10:09:48,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2 2025-08-31T10:09:48,222 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2 2025-08-31T10:09:48,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran 2025-08-31T10:09:48,225 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran 2025-08-31T10:09:48,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN 2025-08-31T10:09:48,229 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN 2025-08-31T10:09:48,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane 2025-08-31T10:09:48,232 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane 2025-08-31T10:09:48,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2 2025-08-31T10:09:48,236 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2 2025-08-31T10:09:48,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole 2025-08-31T10:09:48,239 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole 2025-08-31T10:09:48,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene 2025-08-31T10:09:48,242 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene 2025-08-31T10:09:48,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2 2025-08-31T10:09:48,246 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2 2025-08-31T10:09:48,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO 2025-08-31T10:09:48,249 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO 2025-08-31T10:09:48,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol 2025-08-31T10:09:48,252 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol 2025-08-31T10:09:48,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene 2025-08-31T10:09:48,256 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene 2025-08-31T10:09:48,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2 2025-08-31T10:09:48,259 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2 2025-08-31T10:09:48,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3 2025-08-31T10:09:48,263 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3 2025-08-31T10:09:48,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone 2025-08-31T10:09:48,266 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone 2025-08-31T10:09:48,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone 2025-08-31T10:09:48,269 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone 2025-08-31T10:09:48,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2 2025-08-31T10:09:48,273 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2 2025-08-31T10:09:48,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne 2025-08-31T10:09:48,276 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne 2025-08-31T10:09:48,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane 2025-08-31T10:09:48,280 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane 2025-08-31T10:09:48,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H 2025-08-31T10:09:48,283 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H 2025-08-31T10:09:48,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine 2025-08-31T10:09:48,286 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine 2025-08-31T10:09:48,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2 2025-08-31T10:09:48,289 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2 2025-08-31T10:09:48,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2 2025-08-31T10:09:48,293 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2 2025-08-31T10:09:48,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2 2025-08-31T10:09:48,296 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2 2025-08-31T10:09:48,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2 2025-08-31T10:09:48,300 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2 2025-08-31T10:09:48,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene 2025-08-31T10:09:48,304 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene 2025-08-31T10:09:48,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO 2025-08-31T10:09:48,307 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO 2025-08-31T10:09:48,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2 2025-08-31T10:09:48,310 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2 2025-08-31T10:09:48,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne 2025-08-31T10:09:48,314 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne 2025-08-31T10:09:48,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane 2025-08-31T10:09:48,317 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane 2025-08-31T10:09:48,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3 2025-08-31T10:09:48,321 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3 2025-08-31T10:09:48,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2 2025-08-31T10:09:48,324 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2 2025-08-31T10:09:48,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne 2025-08-31T10:09:48,327 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne 2025-08-31T10:09:48,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO 2025-08-31T10:09:48,330 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO 2025-08-31T10:09:48,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O 2025-08-31T10:09:48,334 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O 2025-08-31T10:09:48,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane 2025-08-31T10:09:48,337 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane 2025-08-31T10:09:48,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2 2025-08-31T10:09:48,341 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2 2025-08-31T10:09:48,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2025-08-31T10:09:48,344 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2025-08-31T10:09:48,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3 2025-08-31T10:09:48,347 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3 2025-08-31T10:09:48,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene 2025-08-31T10:09:48,351 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene 2025-08-31T10:09:48,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane 2025-08-31T10:09:48,354 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane 2025-08-31T10:09:48,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne 2025-08-31T10:09:48,358 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne 2025-08-31T10:09:48,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol 2025-08-31T10:09:48,362 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol 2025-08-31T10:09:48,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane 2025-08-31T10:09:48,367 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane 2025-08-31T10:09:48,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H 2025-08-31T10:09:48,371 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H 2025-08-31T10:09:48,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione 2025-08-31T10:09:48,377 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione 2025-08-31T10:09:48,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H 2025-08-31T10:09:48,382 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H 2025-08-31T10:09:48,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene 2025-08-31T10:09:48,386 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene 2025-08-31T10:09:48,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN 2025-08-31T10:09:48,392 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN 2025-08-31T10:09:48,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran 2025-08-31T10:09:48,396 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran 2025-08-31T10:09:48,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene 2025-08-31T10:09:48,400 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene 2025-08-31T10:09:48,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO 2025-08-31T10:09:48,404 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO 2025-08-31T10:09:48,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl 2025-08-31T10:09:48,407 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl 2025-08-31T10:09:48,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3 2025-08-31T10:09:48,410 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3 2025-08-31T10:09:48,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene 2025-08-31T10:09:48,414 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene 2025-08-31T10:09:48,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene 2025-08-31T10:09:48,417 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene 2025-08-31T10:09:48,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO 2025-08-31T10:09:48,420 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO 2025-08-31T10:09:48,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2 2025-08-31T10:09:48,423 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2 2025-08-31T10:09:48,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2 2025-08-31T10:09:48,426 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2 2025-08-31T10:09:48,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O 2025-08-31T10:09:48,430 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O 2025-08-31T10:09:48,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol 2025-08-31T10:09:48,433 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol 2025-08-31T10:09:48,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2025-08-31T10:09:48,436 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2025-08-31T10:09:48,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO 2025-08-31T10:09:48,439 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO 2025-08-31T10:09:48,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43 2025-08-31T10:09:48,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5 2025-08-31T10:09:48,446 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5 2025-08-31T10:09:48,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29 2025-08-31T10:09:48,449 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29 2025-08-31T10:09:48,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45 2025-08-31T10:09:48,452 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45 2025-08-31T10:09:48,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1 2025-08-31T10:09:48,455 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1 2025-08-31T10:09:48,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13 2025-08-31T10:09:48,459 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13 2025-08-31T10:09:48,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35 2025-08-31T10:09:48,462 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35 2025-08-31T10:09:48,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40 2025-08-31T10:09:48,465 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40 2025-08-31T10:09:48,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17 2025-08-31T10:09:48,469 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17 2025-08-31T10:09:48,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18 2025-08-31T10:09:48,472 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18 2025-08-31T10:09:48,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17 2025-08-31T10:09:48,475 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17 2025-08-31T10:09:48,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36 2025-08-31T10:09:48,479 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36 2025-08-31T10:09:48,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15 2025-08-31T10:09:48,482 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15 2025-08-31T10:09:48,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32 2025-08-31T10:09:48,486 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32 2025-08-31T10:09:48,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42 2025-08-31T10:09:48,489 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42 2025-08-31T10:09:48,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12 2025-08-31T10:09:48,493 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12 2025-08-31T10:09:48,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40 2025-08-31T10:09:48,496 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40 2025-08-31T10:09:48,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5 2025-08-31T10:09:48,499 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5 2025-08-31T10:09:48,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6 2025-08-31T10:09:48,502 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6 2025-08-31T10:09:48,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28 2025-08-31T10:09:48,506 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28 2025-08-31T10:09:48,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36 2025-08-31T10:09:48,509 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36 2025-08-31T10:09:48,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22 2025-08-31T10:09:48,512 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22 2025-08-31T10:09:48,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33 2025-08-31T10:09:48,516 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33 2025-08-31T10:09:48,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44 2025-08-31T10:09:48,519 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44 2025-08-31T10:09:48,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18 2025-08-31T10:09:48,523 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18 2025-08-31T10:09:48,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7 2025-08-31T10:09:48,526 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7 2025-08-31T10:09:48,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20 2025-08-31T10:09:48,529 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20 2025-08-31T10:09:48,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25 2025-08-31T10:09:48,533 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25 2025-08-31T10:09:48,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23 2025-08-31T10:09:48,536 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23 2025-08-31T10:09:48,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8 2025-08-31T10:09:48,540 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8 2025-08-31T10:09:48,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3 2025-08-31T10:09:48,543 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3 2025-08-31T10:09:48,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4 2025-08-31T10:09:48,546 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4 2025-08-31T10:09:48,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7 2025-08-31T10:09:48,549 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7 2025-08-31T10:09:48,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19 2025-08-31T10:09:48,553 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19 2025-08-31T10:09:48,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27 2025-08-31T10:09:48,556 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27 2025-08-31T10:09:48,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30 2025-08-31T10:09:48,559 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30 2025-08-31T10:09:48,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33 2025-08-31T10:09:48,563 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33 2025-08-31T10:09:48,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9 2025-08-31T10:09:48,566 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9 2025-08-31T10:09:48,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27 2025-08-31T10:09:48,569 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27 2025-08-31T10:09:48,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43 2025-08-31T10:09:48,572 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43 2025-08-31T10:09:48,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25 2025-08-31T10:09:48,576 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25 2025-08-31T10:09:48,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16 2025-08-31T10:09:48,579 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16 2025-08-31T10:09:48,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21 2025-08-31T10:09:48,583 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21 2025-08-31T10:09:48,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12 2025-08-31T10:09:48,586 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12 2025-08-31T10:09:48,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43 2025-08-31T10:09:48,589 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43 2025-08-31T10:09:48,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6 2025-08-31T10:09:48,593 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6 2025-08-31T10:09:48,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39 2025-08-31T10:09:48,596 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39 2025-08-31T10:09:48,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31 2025-08-31T10:09:48,599 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31 2025-08-31T10:09:48,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4 2025-08-31T10:09:48,603 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4 2025-08-31T10:09:48,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16 2025-08-31T10:09:48,606 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16 2025-08-31T10:09:48,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2 2025-08-31T10:09:48,610 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2 2025-08-31T10:09:48,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20 2025-08-31T10:09:48,613 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20 2025-08-31T10:09:48,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35 2025-08-31T10:09:48,616 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35 2025-08-31T10:09:48,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37 2025-08-31T10:09:48,620 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37 2025-08-31T10:09:48,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13 2025-08-31T10:09:48,623 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13 2025-08-31T10:09:48,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39 2025-08-31T10:09:48,626 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39 2025-08-31T10:09:48,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30 2025-08-31T10:09:48,629 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30 2025-08-31T10:09:48,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24 2025-08-31T10:09:48,633 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24 2025-08-31T10:09:48,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42 2025-08-31T10:09:48,636 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42 2025-08-31T10:09:48,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34 2025-08-31T10:09:48,640 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34 2025-08-31T10:09:48,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24 2025-08-31T10:09:48,643 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24 2025-08-31T10:09:48,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19 2025-08-31T10:09:48,647 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19 2025-08-31T10:09:48,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34 2025-08-31T10:09:48,650 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34 2025-08-31T10:09:48,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31 2025-08-31T10:09:48,654 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31 2025-08-31T10:09:48,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38 2025-08-31T10:09:48,657 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38 2025-08-31T10:09:48,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22 2025-08-31T10:09:48,661 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22 2025-08-31T10:09:48,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8 2025-08-31T10:09:48,664 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8 2025-08-31T10:09:48,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23 2025-08-31T10:09:48,667 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23 2025-08-31T10:09:48,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1 2025-08-31T10:09:48,670 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1 2025-08-31T10:09:48,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26 2025-08-31T10:09:48,674 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26 2025-08-31T10:09:48,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38 2025-08-31T10:09:48,686 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38 2025-08-31T10:09:48,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10 2025-08-31T10:09:48,689 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10 2025-08-31T10:09:48,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41 2025-08-31T10:09:48,693 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41 2025-08-31T10:09:48,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45 2025-08-31T10:09:48,697 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45 2025-08-31T10:09:48,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21 2025-08-31T10:09:48,700 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21 2025-08-31T10:09:48,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37 2025-08-31T10:09:48,703 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37 2025-08-31T10:09:48,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9 2025-08-31T10:09:48,707 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9 2025-08-31T10:09:48,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11 2025-08-31T10:09:48,710 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11 2025-08-31T10:09:48,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32 2025-08-31T10:09:48,714 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32 2025-08-31T10:09:48,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15 2025-08-31T10:09:48,717 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15 2025-08-31T10:09:48,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28 2025-08-31T10:09:48,721 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28 2025-08-31T10:09:48,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26 2025-08-31T10:09:48,724 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26 2025-08-31T10:09:48,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29 2025-08-31T10:09:48,727 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29 2025-08-31T10:09:48,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3 2025-08-31T10:09:48,730 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3 2025-08-31T10:09:48,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41 2025-08-31T10:09:48,734 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41 2025-08-31T10:09:48,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2 2025-08-31T10:09:48,737 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2 2025-08-31T10:09:48,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44 2025-08-31T10:09:48,741 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44 2025-08-31T10:09:48,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10 2025-08-31T10:09:48,744 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10 2025-08-31T10:09:48,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11 2025-08-31T10:09:48,748 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11 2025-08-31T10:09:48,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10 2025-08-31T10:09:48,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio 2025-08-31T10:09:48,753 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio 2025-08-31T10:09:48,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf 2025-08-31T10:09:48,756 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf 2025-08-31T10:09:48,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k 2025-08-31T10:09:48,761 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k 2025-08-31T10:09:48,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be 2025-08-31T10:09:48,764 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be 2025-08-31T10:09:48,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s 2025-08-31T10:09:48,768 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s 2025-08-31T10:09:48,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf 2025-08-31T10:09:48,771 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf 2025-08-31T10:09:48,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo 2025-08-31T10:09:48,774 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo 2025-08-31T10:09:48,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o 2025-08-31T10:09:48,778 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o 2025-08-31T10:09:48,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo 2025-08-31T10:09:48,781 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo 2025-08-31T10:09:48,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs 2025-08-31T10:09:48,784 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs 2025-08-31T10:09:48,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao 2025-08-31T10:09:48,788 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao 2025-08-31T10:09:48,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao 2025-08-31T10:09:48,791 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao 2025-08-31T10:09:48,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg 2025-08-31T10:09:48,795 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg 2025-08-31T10:09:48,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li 2025-08-31T10:09:48,798 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li 2025-08-31T10:09:48,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h 2025-08-31T10:09:48,802 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h 2025-08-31T10:09:48,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca 2025-08-31T10:09:48,805 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca 2025-08-31T10:09:48,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na 2025-08-31T10:09:48,808 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na 2025-08-31T10:09:48,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif 2025-08-31T10:09:48,812 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif 2025-08-31T10:09:48,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f 2025-08-31T10:09:48,817 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f 2025-08-31T10:09:48,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef 2025-08-31T10:09:48,821 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef 2025-08-31T10:09:48,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC 2025-08-31T10:09:48,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121 2025-08-31T10:09:48,827 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121 2025-08-31T10:09:48,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94 2025-08-31T10:09:48,831 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94 2025-08-31T10:09:48,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68 2025-08-31T10:09:48,836 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68 2025-08-31T10:09:48,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23 2025-08-31T10:09:48,843 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23 2025-08-31T10:09:48,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8 2025-08-31T10:09:48,846 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8 2025-08-31T10:09:48,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30 2025-08-31T10:09:48,850 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30 2025-08-31T10:09:48,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57 2025-08-31T10:09:48,854 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57 2025-08-31T10:09:48,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106 2025-08-31T10:09:48,857 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106 2025-08-31T10:09:48,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56 2025-08-31T10:09:48,860 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56 2025-08-31T10:09:48,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60 2025-08-31T10:09:48,863 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60 2025-08-31T10:09:48,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61 2025-08-31T10:09:48,867 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61 2025-08-31T10:09:48,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88 2025-08-31T10:09:48,870 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88 2025-08-31T10:09:48,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126 2025-08-31T10:09:48,874 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126 2025-08-31T10:09:48,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34 2025-08-31T10:09:48,877 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34 2025-08-31T10:09:48,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113 2025-08-31T10:09:48,881 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113 2025-08-31T10:09:48,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73 2025-08-31T10:09:48,885 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73 2025-08-31T10:09:48,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118 2025-08-31T10:09:48,888 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118 2025-08-31T10:09:48,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97 2025-08-31T10:09:48,892 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97 2025-08-31T10:09:48,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67 2025-08-31T10:09:48,895 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67 2025-08-31T10:09:48,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22 2025-08-31T10:09:48,899 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22 2025-08-31T10:09:48,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18 2025-08-31T10:09:48,903 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18 2025-08-31T10:09:48,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52 2025-08-31T10:09:48,907 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52 2025-08-31T10:09:48,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59 2025-08-31T10:09:48,910 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59 2025-08-31T10:09:48,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40 2025-08-31T10:09:48,913 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40 2025-08-31T10:09:48,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47 2025-08-31T10:09:48,917 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47 2025-08-31T10:09:48,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21 2025-08-31T10:09:48,920 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21 2025-08-31T10:09:48,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66 2025-08-31T10:09:48,924 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66 2025-08-31T10:09:48,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13 2025-08-31T10:09:48,927 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13 2025-08-31T10:09:48,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58 2025-08-31T10:09:48,931 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58 2025-08-31T10:09:48,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25 2025-08-31T10:09:48,934 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25 2025-08-31T10:09:48,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32 2025-08-31T10:09:48,938 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32 2025-08-31T10:09:48,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6 2025-08-31T10:09:48,942 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6 2025-08-31T10:09:48,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14 2025-08-31T10:09:48,945 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14 2025-08-31T10:09:48,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1 2025-08-31T10:09:48,948 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1 2025-08-31T10:09:48,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24 2025-08-31T10:09:48,951 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24 2025-08-31T10:09:48,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45 2025-08-31T10:09:48,955 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45 2025-08-31T10:09:48,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26 2025-08-31T10:09:48,959 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26 2025-08-31T10:09:48,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104 2025-08-31T10:09:48,962 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104 2025-08-31T10:09:48,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100 2025-08-31T10:09:48,965 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100 2025-08-31T10:09:48,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33 2025-08-31T10:09:48,968 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33 2025-08-31T10:09:48,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51 2025-08-31T10:09:48,972 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51 2025-08-31T10:09:48,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39 2025-08-31T10:09:48,975 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39 2025-08-31T10:09:48,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117 2025-08-31T10:09:48,979 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117 2025-08-31T10:09:48,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128 2025-08-31T10:09:48,982 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128 2025-08-31T10:09:48,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82 2025-08-31T10:09:48,986 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82 2025-08-31T10:09:48,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62 2025-08-31T10:09:48,989 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62 2025-08-31T10:09:48,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11 2025-08-31T10:09:48,992 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11 2025-08-31T10:09:48,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA 2025-08-31T10:09:48,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n 2025-08-31T10:09:48,998 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n 2025-08-31T10:09:49,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n 2025-08-31T10:09:49,001 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n 2025-08-31T10:09:49,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s 2025-08-31T10:09:49,005 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s 2025-08-31T10:09:49,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10 2025-08-31T10:09:49,009 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10 2025-08-31T10:09:49,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11 2025-08-31T10:09:49,013 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11 2025-08-31T10:09:49,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8 2025-08-31T10:09:49,016 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8 2025-08-31T10:09:49,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n 2025-08-31T10:09:49,019 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n 2025-08-31T10:09:49,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16 2025-08-31T10:09:49,023 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16 2025-08-31T10:09:49,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n 2025-08-31T10:09:49,027 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n 2025-08-31T10:09:49,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n 2025-08-31T10:09:49,031 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n 2025-08-31T10:09:49,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13 2025-08-31T10:09:49,035 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13 2025-08-31T10:09:49,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20 2025-08-31T10:09:49,038 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20 2025-08-31T10:09:49,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19 2025-08-31T10:09:49,041 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19 2025-08-31T10:09:49,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n 2025-08-31T10:09:49,045 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n 2025-08-31T10:09:49,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n 2025-08-31T10:09:49,048 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n 2025-08-31T10:09:49,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p- 2025-08-31T10:09:49,052 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p- 2025-08-31T10:09:49,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c- 2025-08-31T10:09:49,056 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c- 2025-08-31T10:09:49,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o- 2025-08-31T10:09:49,059 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o- 2025-08-31T10:09:49,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22 2025-08-31T10:09:49,063 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22 2025-08-31T10:09:49,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23 2025-08-31T10:09:49,066 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23 2025-08-31T10:09:49,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12 2025-08-31T10:09:49,070 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12 2025-08-31T10:09:49,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si 2025-08-31T10:09:49,073 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si 2025-08-31T10:09:49,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl 2025-08-31T10:09:49,077 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl 2025-08-31T10:09:49,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9 2025-08-31T10:09:49,080 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9 2025-08-31T10:09:49,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15 2025-08-31T10:09:49,083 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15 2025-08-31T10:09:49,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25 2025-08-31T10:09:49,087 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25 2025-08-31T10:09:49,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si- 2025-08-31T10:09:49,090 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si- 2025-08-31T10:09:49,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n 2025-08-31T10:09:49,095 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n 2025-08-31T10:09:49,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl- 2025-08-31T10:09:49,098 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl- 2025-08-31T10:09:49,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n 2025-08-31T10:09:49,102 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n 2025-08-31T10:09:49,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f- 2025-08-31T10:09:49,105 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f- 2025-08-31T10:09:49,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f 2025-08-31T10:09:49,109 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f 2025-08-31T10:09:49,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14 2025-08-31T10:09:49,112 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14 2025-08-31T10:09:49,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c 2025-08-31T10:09:49,116 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c 2025-08-31T10:09:49,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17 2025-08-31T10:09:49,119 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17 2025-08-31T10:09:49,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n 2025-08-31T10:09:49,122 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n 2025-08-31T10:09:49,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n 2025-08-31T10:09:49,125 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n 2025-08-31T10:09:49,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n 2025-08-31T10:09:49,129 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n 2025-08-31T10:09:49,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n 2025-08-31T10:09:49,132 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n 2025-08-31T10:09:49,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s- 2025-08-31T10:09:49,135 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s- 2025-08-31T10:09:49,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n 2025-08-31T10:09:49,139 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n 2025-08-31T10:09:49,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n 2025-08-31T10:09:49,142 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n 2025-08-31T10:09:49,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n 2025-08-31T10:09:49,145 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n 2025-08-31T10:09:49,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o 2025-08-31T10:09:49,149 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o 2025-08-31T10:09:49,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n 2025-08-31T10:09:49,152 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n 2025-08-31T10:09:49,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p 2025-08-31T10:09:49,156 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p 2025-08-31T10:09:49,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24 2025-08-31T10:09:49,159 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24 2025-08-31T10:09:49,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18 2025-08-31T10:09:49,162 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18 2025-08-31T10:09:49,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n 2025-08-31T10:09:49,166 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n 2025-08-31T10:09:49,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21 2025-08-31T10:09:49,169 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21 2025-08-31T10:09:49,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6 2025-08-31T10:09:49,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5 2025-08-31T10:09:49,174 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5 2025-08-31T10:09:49,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5 2025-08-31T10:09:49,177 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5 2025-08-31T10:09:49,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3 2025-08-31T10:09:49,181 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3 2025-08-31T10:09:49,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7 2025-08-31T10:09:49,184 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7 2025-08-31T10:09:49,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4 2025-08-31T10:09:49,187 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4 2025-08-31T10:09:49,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6 2025-08-31T10:09:49,191 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6 2025-08-31T10:09:49,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2 2025-08-31T10:09:49,194 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2 2025-08-31T10:09:49,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6 2025-08-31T10:09:49,198 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6 2025-08-31T10:09:49,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7 2025-08-31T10:09:49,201 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7 2025-08-31T10:09:49,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4 2025-08-31T10:09:49,205 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4 2025-08-31T10:09:49,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3 2025-08-31T10:09:49,208 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3 2025-08-31T10:09:49,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2 2025-08-31T10:09:49,212 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2 2025-08-31T10:09:49,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13 2025-08-31T10:09:49,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3 2025-08-31T10:09:49,217 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3 2025-08-31T10:09:49,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4 2025-08-31T10:09:49,220 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4 2025-08-31T10:09:49,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5 2025-08-31T10:09:49,224 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5 2025-08-31T10:09:49,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4 2025-08-31T10:09:49,227 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4 2025-08-31T10:09:49,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts 2025-08-31T10:09:49,231 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts 2025-08-31T10:09:49,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts 2025-08-31T10:09:49,234 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts 2025-08-31T10:09:49,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o 2025-08-31T10:09:49,237 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o 2025-08-31T10:09:49,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3 2025-08-31T10:09:49,241 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3 2025-08-31T10:09:49,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6 2025-08-31T10:09:49,244 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6 2025-08-31T10:09:49,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2 2025-08-31T10:09:49,248 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2 2025-08-31T10:09:49,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf 2025-08-31T10:09:49,251 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf 2025-08-31T10:09:49,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5 2025-08-31T10:09:49,254 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5 2025-08-31T10:09:49,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts 2025-08-31T10:09:49,258 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts 2025-08-31T10:09:49,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2 2025-08-31T10:09:49,261 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2 2025-08-31T10:09:49,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts 2025-08-31T10:09:49,266 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts 2025-08-31T10:09:49,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4 2025-08-31T10:09:49,270 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4 2025-08-31T10:09:49,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3 2025-08-31T10:09:49,273 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3 2025-08-31T10:09:49,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts 2025-08-31T10:09:49,277 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts 2025-08-31T10:09:49,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6 2025-08-31T10:09:49,314 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6 2025-08-31T10:09:49,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts 2025-08-31T10:09:49,317 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts 2025-08-31T10:09:49,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts 2025-08-31T10:09:49,321 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts 2025-08-31T10:09:49,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts 2025-08-31T10:09:49,324 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts 2025-08-31T10:09:49,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts 2025-08-31T10:09:49,327 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts 2025-08-31T10:09:49,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts 2025-08-31T10:09:49,330 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts 2025-08-31T10:09:49,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts 2025-08-31T10:09:49,334 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts 2025-08-31T10:09:49,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts 2025-08-31T10:09:49,337 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts 2025-08-31T10:09:49,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2 2025-08-31T10:09:49,340 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2 2025-08-31T10:09:49,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3 2025-08-31T10:09:49,344 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3 2025-08-31T10:09:49,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts 2025-08-31T10:09:49,347 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts 2025-08-31T10:09:49,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC 2025-08-31T10:09:49,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1 2025-08-31T10:09:49,352 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1 2025-08-31T10:09:49,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH 2025-08-31T10:09:49,355 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH 2025-08-31T10:09:49,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein 2025-08-31T10:09:49,359 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein 2025-08-31T10:09:49,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X 2025-08-31T10:09:49,363 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X 2025-08-31T10:09:49,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5 2025-08-31T10:09:49,366 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5 2025-08-31T10:09:49,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene 2025-08-31T10:09:49,370 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene 2025-08-31T10:09:49,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7 2025-08-31T10:09:49,373 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7 2025-08-31T10:09:49,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8 2025-08-31T10:09:49,376 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8 2025-08-31T10:09:49,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane 2025-08-31T10:09:49,380 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane 2025-08-31T10:09:49,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3 2025-08-31T10:09:49,383 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3 2025-08-31T10:09:49,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6 2025-08-31T10:09:49,386 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6 2025-08-31T10:09:49,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4 2025-08-31T10:09:49,390 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4 2025-08-31T10:09:49,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine 2025-08-31T10:09:49,393 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine 2025-08-31T10:09:49,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X 2025-08-31T10:09:49,396 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X 2025-08-31T10:09:49,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X 2025-08-31T10:09:49,400 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X 2025-08-31T10:09:49,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene 2025-08-31T10:09:49,403 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene 2025-08-31T10:09:49,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10 2025-08-31T10:09:49,407 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10 2025-08-31T10:09:49,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene 2025-08-31T10:09:49,410 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene 2025-08-31T10:09:49,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene 2025-08-31T10:09:49,413 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene 2025-08-31T10:09:49,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9 2025-08-31T10:09:49,416 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9 2025-08-31T10:09:49,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2 2025-08-31T10:09:49,420 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2 2025-08-31T10:09:49,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X 2025-08-31T10:09:49,423 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X 2025-08-31T10:09:49,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27 2025-08-31T10:09:49,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6 2025-08-31T10:09:49,429 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6 2025-08-31T10:09:49,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b 2025-08-31T10:09:49,432 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b 2025-08-31T10:09:49,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs 2025-08-31T10:09:49,436 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs 2025-08-31T10:09:49,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6 2025-08-31T10:09:49,439 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6 2025-08-31T10:09:49,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O 2025-08-31T10:09:49,443 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O 2025-08-31T10:09:49,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d 2025-08-31T10:09:49,446 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d 2025-08-31T10:09:49,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2 2025-08-31T10:09:49,449 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2 2025-08-31T10:09:49,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3 2025-08-31T10:09:49,453 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3 2025-08-31T10:09:49,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4 2025-08-31T10:09:49,456 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4 2025-08-31T10:09:49,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2 2025-08-31T10:09:49,459 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2 2025-08-31T10:09:49,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5 2025-08-31T10:09:49,462 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5 2025-08-31T10:09:49,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5 2025-08-31T10:09:49,466 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5 2025-08-31T10:09:49,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs 2025-08-31T10:09:49,469 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs 2025-08-31T10:09:49,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2 2025-08-31T10:09:49,473 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2 2025-08-31T10:09:49,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4 2025-08-31T10:09:49,476 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4 2025-08-31T10:09:49,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20 2025-08-31T10:09:49,480 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20 2025-08-31T10:09:49,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d 2025-08-31T10:09:49,484 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d 2025-08-31T10:09:49,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3 2025-08-31T10:09:49,487 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3 2025-08-31T10:09:49,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op 2025-08-31T10:09:49,490 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op 2025-08-31T10:09:49,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4 2025-08-31T10:09:49,493 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4 2025-08-31T10:09:49,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c 2025-08-31T10:09:49,497 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c 2025-08-31T10:09:49,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O 2025-08-31T10:09:49,500 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O 2025-08-31T10:09:49,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm 2025-08-31T10:09:49,503 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm 2025-08-31T10:09:49,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2 2025-08-31T10:09:49,507 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2 2025-08-31T10:09:49,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm 2025-08-31T10:09:49,510 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm 2025-08-31T10:09:49,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc 2025-08-31T10:09:49,513 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc 2025-08-31T10:09:49,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d 2025-08-31T10:09:49,517 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d 2025-08-31T10:09:49,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es 2025-08-31T10:09:49,521 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es 2025-08-31T10:09:49,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O 2025-08-31T10:09:49,524 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O 2025-08-31T10:09:49,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3 2025-08-31T10:09:49,528 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3 2025-08-31T10:09:49,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC 2025-08-31T10:09:49,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f- 2025-08-31T10:09:49,534 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f- 2025-08-31T10:09:49,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S 2025-08-31T10:09:49,537 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S 2025-08-31T10:09:49,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08 2025-08-31T10:09:49,540 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08 2025-08-31T10:09:49,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts 2025-08-31T10:09:49,543 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts 2025-08-31T10:09:49,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh 2025-08-31T10:09:49,546 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh 2025-08-31T10:09:49,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc 2025-08-31T10:09:49,550 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc 2025-08-31T10:09:49,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7 2025-08-31T10:09:49,553 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7 2025-08-31T10:09:49,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06 2025-08-31T10:09:49,557 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06 2025-08-31T10:09:49,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O 2025-08-31T10:09:49,560 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O 2025-08-31T10:09:49,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07 2025-08-31T10:09:49,563 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07 2025-08-31T10:09:49,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts 2025-08-31T10:09:49,567 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts 2025-08-31T10:09:49,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21 2025-08-31T10:09:49,570 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21 2025-08-31T10:09:49,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf 2025-08-31T10:09:49,573 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf 2025-08-31T10:09:49,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts 2025-08-31T10:09:49,577 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts 2025-08-31T10:09:49,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22 2025-08-31T10:09:49,580 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22 2025-08-31T10:09:49,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13 2025-08-31T10:09:49,583 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13 2025-08-31T10:09:49,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts 2025-08-31T10:09:49,586 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts 2025-08-31T10:09:49,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5 2025-08-31T10:09:49,589 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5 2025-08-31T10:09:49,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1 2025-08-31T10:09:49,593 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1 2025-08-31T10:09:49,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2 2025-08-31T10:09:49,596 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2 2025-08-31T10:09:49,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12 2025-08-31T10:09:49,599 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12 2025-08-31T10:09:49,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh- 2025-08-31T10:09:49,603 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh- 2025-08-31T10:09:49,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco 2025-08-31T10:09:49,606 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco 2025-08-31T10:09:49,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf 2025-08-31T10:09:49,609 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf 2025-08-31T10:09:49,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2 2025-08-31T10:09:49,613 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2 2025-08-31T10:09:49,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4 2025-08-31T10:09:49,616 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4 2025-08-31T10:09:49,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts 2025-08-31T10:09:49,619 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts 2025-08-31T10:09:49,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2 2025-08-31T10:09:49,622 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2 2025-08-31T10:09:49,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp 2025-08-31T10:09:49,625 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp 2025-08-31T10:09:49,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH 2025-08-31T10:09:49,629 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH 2025-08-31T10:09:49,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f 2025-08-31T10:09:49,632 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f 2025-08-31T10:09:49,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts 2025-08-31T10:09:49,635 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts 2025-08-31T10:09:49,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2 2025-08-31T10:09:49,638 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2 2025-08-31T10:09:49,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11 2025-08-31T10:09:49,642 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11 2025-08-31T10:09:49,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03 2025-08-31T10:09:49,645 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03 2025-08-31T10:09:49,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20 2025-08-31T10:09:49,648 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20 2025-08-31T10:09:49,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17 2025-08-31T10:09:49,652 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17 2025-08-31T10:09:49,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15 2025-08-31T10:09:49,655 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15 2025-08-31T10:09:49,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3 2025-08-31T10:09:49,658 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3 2025-08-31T10:09:49,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts 2025-08-31T10:09:49,661 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts 2025-08-31T10:09:49,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts 2025-08-31T10:09:49,665 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts 2025-08-31T10:09:49,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8 2025-08-31T10:09:49,668 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8 2025-08-31T10:09:49,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4 2025-08-31T10:09:49,671 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4 2025-08-31T10:09:49,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1 2025-08-31T10:09:49,675 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1 2025-08-31T10:09:49,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts 2025-08-31T10:09:49,678 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts 2025-08-31T10:09:49,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01 2025-08-31T10:09:49,681 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01 2025-08-31T10:09:49,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2 2025-08-31T10:09:49,685 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2 2025-08-31T10:09:49,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl- 2025-08-31T10:09:49,688 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl- 2025-08-31T10:09:49,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05 2025-08-31T10:09:49,692 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05 2025-08-31T10:09:49,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H 2025-08-31T10:09:49,695 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H 2025-08-31T10:09:49,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19 2025-08-31T10:09:49,698 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19 2025-08-31T10:09:49,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh 2025-08-31T10:09:49,701 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh 2025-08-31T10:09:49,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2 2025-08-31T10:09:49,705 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2 2025-08-31T10:09:49,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3 2025-08-31T10:09:49,708 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3 2025-08-31T10:09:49,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6 2025-08-31T10:09:49,711 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6 2025-08-31T10:09:49,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co 2025-08-31T10:09:49,715 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co 2025-08-31T10:09:49,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS 2025-08-31T10:09:49,718 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS 2025-08-31T10:09:49,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04 2025-08-31T10:09:49,721 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04 2025-08-31T10:09:49,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts 2025-08-31T10:09:49,725 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts 2025-08-31T10:09:49,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl 2025-08-31T10:09:49,728 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl 2025-08-31T10:09:49,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH 2025-08-31T10:09:49,732 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH 2025-08-31T10:09:49,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14 2025-08-31T10:09:49,735 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14 2025-08-31T10:09:49,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10 2025-08-31T10:09:49,738 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10 2025-08-31T10:09:49,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2 2025-08-31T10:09:49,741 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2 2025-08-31T10:09:49,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h 2025-08-31T10:09:49,745 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h 2025-08-31T10:09:49,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02 2025-08-31T10:09:49,749 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02 2025-08-31T10:09:49,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts 2025-08-31T10:09:49,753 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts 2025-08-31T10:09:49,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts 2025-08-31T10:09:49,759 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts 2025-08-31T10:09:49,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o 2025-08-31T10:09:49,765 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o 2025-08-31T10:09:49,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16 2025-08-31T10:09:49,768 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16 2025-08-31T10:09:49,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots 2025-08-31T10:09:49,772 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots 2025-08-31T10:09:49,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp 2025-08-31T10:09:49,775 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp 2025-08-31T10:09:49,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts 2025-08-31T10:09:49,779 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts 2025-08-31T10:09:49,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09 2025-08-31T10:09:49,782 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09 2025-08-31T10:09:49,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts 2025-08-31T10:09:49,785 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts 2025-08-31T10:09:50,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn 2025-08-31T10:09:50,004 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn 2025-08-31T10:09:50,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2 2025-08-31T10:09:50,008 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2 2025-08-31T10:09:50,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f 2025-08-31T10:09:50,011 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f 2025-08-31T10:09:50,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5 2025-08-31T10:09:50,014 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5 2025-08-31T10:09:50,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts 2025-08-31T10:09:50,018 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts 2025-08-31T10:09:50,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl 2025-08-31T10:09:50,021 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl 2025-08-31T10:09:50,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3 2025-08-31T10:09:50,024 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3 2025-08-31T10:09:50,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18 2025-08-31T10:09:50,027 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18 2025-08-31T10:09:50,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl 2025-08-31T10:09:50,031 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl 2025-08-31T10:09:50,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O 2025-08-31T10:09:50,034 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O 2025-08-31T10:09:50,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2 2025-08-31T10:09:50,038 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2 2025-08-31T10:09:50,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF 2025-08-31T10:09:50,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4 2025-08-31T10:09:50,042 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4 2025-08-31T10:09:50,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12 2025-08-31T10:09:50,045 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12 2025-08-31T10:09:50,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3 2025-08-31T10:09:50,049 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3 2025-08-31T10:09:50,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3 2025-08-31T10:09:50,052 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3 2025-08-31T10:09:50,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13 2025-08-31T10:09:50,055 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13 2025-08-31T10:09:50,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10 2025-08-31T10:09:50,059 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10 2025-08-31T10:09:50,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6 2025-08-31T10:09:50,062 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6 2025-08-31T10:09:50,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14 2025-08-31T10:09:50,065 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14 2025-08-31T10:09:50,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2 2025-08-31T10:09:50,068 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2 2025-08-31T10:09:50,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7 2025-08-31T10:09:50,072 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7 2025-08-31T10:09:50,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5 2025-08-31T10:09:50,075 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5 2025-08-31T10:09:50,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2 2025-08-31T10:09:50,079 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2 2025-08-31T10:09:50,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11 2025-08-31T10:09:50,082 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11 2025-08-31T10:09:50,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1 2025-08-31T10:09:50,085 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1 2025-08-31T10:09:50,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8 2025-08-31T10:09:50,088 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8 2025-08-31T10:09:50,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4 2025-08-31T10:09:50,091 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4 2025-08-31T10:09:50,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1 2025-08-31T10:09:50,095 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1 2025-08-31T10:09:50,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15 2025-08-31T10:09:50,100 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15 2025-08-31T10:09:50,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9 2025-08-31T10:09:50,104 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9 2025-08-31T10:09:50,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI 2025-08-31T10:09:50,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene 2025-08-31T10:09:50,112 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene 2025-08-31T10:09:50,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r 2025-08-31T10:09:50,117 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r 2025-08-31T10:09:50,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2 2025-08-31T10:09:50,122 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2 2025-08-31T10:09:50,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7 2025-08-31T10:09:50,127 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7 2025-08-31T10:09:50,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts 2025-08-31T10:09:50,132 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts 2025-08-31T10:09:50,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a 2025-08-31T10:09:50,136 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a 2025-08-31T10:09:50,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts 2025-08-31T10:09:50,141 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts 2025-08-31T10:09:50,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7 2025-08-31T10:09:50,146 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7 2025-08-31T10:09:50,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane 2025-08-31T10:09:50,150 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane 2025-08-31T10:09:50,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5 2025-08-31T10:09:50,155 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5 2025-08-31T10:09:50,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene 2025-08-31T10:09:50,160 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene 2025-08-31T10:09:50,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3 2025-08-31T10:09:50,165 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3 2025-08-31T10:09:50,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11 2025-08-31T10:09:50,169 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11 2025-08-31T10:09:50,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a 2025-08-31T10:09:50,174 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a 2025-08-31T10:09:50,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a 2025-08-31T10:09:50,179 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a 2025-08-31T10:09:50,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5 2025-08-31T10:09:50,184 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5 2025-08-31T10:09:50,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r 2025-08-31T10:09:50,189 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r 2025-08-31T10:09:50,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r 2025-08-31T10:09:50,194 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r 2025-08-31T10:09:50,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6 2025-08-31T10:09:50,198 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6 2025-08-31T10:09:50,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2025-08-31T10:09:50,202 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2025-08-31T10:09:50,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1 2025-08-31T10:09:50,207 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1 2025-08-31T10:09:50,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10 2025-08-31T10:09:50,210 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10 2025-08-31T10:09:50,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9 2025-08-31T10:09:50,215 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9 2025-08-31T10:09:50,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene 2025-08-31T10:09:50,218 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene 2025-08-31T10:09:50,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a 2025-08-31T10:09:50,222 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a 2025-08-31T10:09:50,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a 2025-08-31T10:09:50,225 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a 2025-08-31T10:09:50,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts 2025-08-31T10:09:50,229 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts 2025-08-31T10:09:50,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2025-08-31T10:09:50,232 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2025-08-31T10:09:50,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6 2025-08-31T10:09:50,236 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6 2025-08-31T10:09:50,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene 2025-08-31T10:09:50,239 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene 2025-08-31T10:09:50,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2025-08-31T10:09:50,242 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2025-08-31T10:09:50,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2025-08-31T10:09:50,246 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2025-08-31T10:09:50,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a 2025-08-31T10:09:50,249 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a 2025-08-31T10:09:50,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2025-08-31T10:09:50,253 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2025-08-31T10:09:50,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4 2025-08-31T10:09:50,256 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4 2025-08-31T10:09:50,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a 2025-08-31T10:09:50,259 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a 2025-08-31T10:09:50,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene 2025-08-31T10:09:50,263 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene 2025-08-31T10:09:50,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1 2025-08-31T10:09:50,266 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1 2025-08-31T10:09:50,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r 2025-08-31T10:09:50,270 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r 2025-08-31T10:09:50,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8 2025-08-31T10:09:50,273 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8 2025-08-31T10:09:50,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts 2025-08-31T10:09:50,276 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts 2025-08-31T10:09:50,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts 2025-08-31T10:09:50,280 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts 2025-08-31T10:09:50,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r 2025-08-31T10:09:50,283 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r 2025-08-31T10:09:50,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r 2025-08-31T10:09:50,286 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r 2025-08-31T10:09:50,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts 2025-08-31T10:09:50,289 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts 2025-08-31T10:09:50,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4 2025-08-31T10:09:50,293 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4 2025-08-31T10:09:50,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9 2025-08-31T10:09:50,297 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9 2025-08-31T10:09:50,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3 2025-08-31T10:09:50,301 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3 2025-08-31T10:09:50,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r 2025-08-31T10:09:50,305 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r 2025-08-31T10:09:50,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts 2025-08-31T10:09:50,309 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts 2025-08-31T10:09:50,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene 2025-08-31T10:09:50,312 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene 2025-08-31T10:09:50,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene 2025-08-31T10:09:50,317 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene 2025-08-31T10:09:50,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts 2025-08-31T10:09:50,323 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts 2025-08-31T10:09:50,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8 2025-08-31T10:09:50,328 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8 2025-08-31T10:09:50,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a 2025-08-31T10:09:50,331 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a 2025-08-31T10:09:50,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4 2025-08-31T10:09:50,335 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4 2025-08-31T10:09:50,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2 2025-08-31T10:09:50,338 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2 2025-08-31T10:09:50,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts 2025-08-31T10:09:50,342 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts 2025-08-31T10:09:50,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene 2025-08-31T10:09:50,346 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene 2025-08-31T10:09:50,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a 2025-08-31T10:09:50,350 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a 2025-08-31T10:09:50,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r 2025-08-31T10:09:50,354 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r 2025-08-31T10:09:50,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76 2025-08-31T10:09:50,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f- 2025-08-31T10:09:50,361 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f- 2025-08-31T10:09:50,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S 2025-08-31T10:09:50,365 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S 2025-08-31T10:09:50,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08 2025-08-31T10:09:50,369 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08 2025-08-31T10:09:50,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts 2025-08-31T10:09:50,372 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts 2025-08-31T10:09:50,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh 2025-08-31T10:09:50,376 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh 2025-08-31T10:09:50,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc 2025-08-31T10:09:50,379 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc 2025-08-31T10:09:50,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7 2025-08-31T10:09:50,382 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7 2025-08-31T10:09:50,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06 2025-08-31T10:09:50,385 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06 2025-08-31T10:09:50,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O 2025-08-31T10:09:50,389 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O 2025-08-31T10:09:50,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07 2025-08-31T10:09:50,392 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07 2025-08-31T10:09:50,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts 2025-08-31T10:09:50,395 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts 2025-08-31T10:09:50,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21 2025-08-31T10:09:50,399 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21 2025-08-31T10:09:50,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf 2025-08-31T10:09:50,402 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf 2025-08-31T10:09:50,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts 2025-08-31T10:09:50,406 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts 2025-08-31T10:09:50,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22 2025-08-31T10:09:50,409 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22 2025-08-31T10:09:50,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13 2025-08-31T10:09:50,412 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13 2025-08-31T10:09:50,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts 2025-08-31T10:09:50,416 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts 2025-08-31T10:09:50,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5 2025-08-31T10:09:50,419 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5 2025-08-31T10:09:50,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1 2025-08-31T10:09:50,422 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1 2025-08-31T10:09:50,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2 2025-08-31T10:09:50,425 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2 2025-08-31T10:09:50,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12 2025-08-31T10:09:50,428 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12 2025-08-31T10:09:50,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh- 2025-08-31T10:09:50,432 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh- 2025-08-31T10:09:50,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco 2025-08-31T10:09:50,435 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco 2025-08-31T10:09:50,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf 2025-08-31T10:09:50,439 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf 2025-08-31T10:09:50,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2 2025-08-31T10:09:50,442 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2 2025-08-31T10:09:50,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4 2025-08-31T10:09:50,446 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4 2025-08-31T10:09:50,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts 2025-08-31T10:09:50,449 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts 2025-08-31T10:09:50,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2 2025-08-31T10:09:50,452 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2 2025-08-31T10:09:50,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp 2025-08-31T10:09:50,456 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp 2025-08-31T10:09:50,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH 2025-08-31T10:09:50,460 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH 2025-08-31T10:09:50,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f 2025-08-31T10:09:50,464 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f 2025-08-31T10:09:50,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts 2025-08-31T10:09:50,467 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts 2025-08-31T10:09:50,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2 2025-08-31T10:09:50,471 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2 2025-08-31T10:09:50,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11 2025-08-31T10:09:50,474 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11 2025-08-31T10:09:50,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03 2025-08-31T10:09:50,478 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03 2025-08-31T10:09:50,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20 2025-08-31T10:09:50,482 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20 2025-08-31T10:09:50,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17 2025-08-31T10:09:50,485 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17 2025-08-31T10:09:50,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15 2025-08-31T10:09:50,489 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15 2025-08-31T10:09:50,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3 2025-08-31T10:09:50,492 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3 2025-08-31T10:09:50,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts 2025-08-31T10:09:50,496 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts 2025-08-31T10:09:50,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts 2025-08-31T10:09:50,500 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts 2025-08-31T10:09:50,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8 2025-08-31T10:09:50,503 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8 2025-08-31T10:09:50,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4 2025-08-31T10:09:50,506 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4 2025-08-31T10:09:50,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1 2025-08-31T10:09:50,510 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1 2025-08-31T10:09:50,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts 2025-08-31T10:09:50,513 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts 2025-08-31T10:09:50,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01 2025-08-31T10:09:50,516 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01 2025-08-31T10:09:50,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2 2025-08-31T10:09:50,520 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2 2025-08-31T10:09:50,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl- 2025-08-31T10:09:50,524 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl- 2025-08-31T10:09:50,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05 2025-08-31T10:09:50,528 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05 2025-08-31T10:09:50,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H 2025-08-31T10:09:50,533 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H 2025-08-31T10:09:50,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19 2025-08-31T10:09:50,537 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19 2025-08-31T10:09:50,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh 2025-08-31T10:09:50,542 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh 2025-08-31T10:09:50,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2 2025-08-31T10:09:50,547 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2 2025-08-31T10:09:50,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3 2025-08-31T10:09:50,551 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3 2025-08-31T10:09:50,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6 2025-08-31T10:09:50,555 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6 2025-08-31T10:09:50,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co 2025-08-31T10:09:50,559 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co 2025-08-31T10:09:50,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS 2025-08-31T10:09:50,563 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS 2025-08-31T10:09:50,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04 2025-08-31T10:09:50,567 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04 2025-08-31T10:09:50,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts 2025-08-31T10:09:50,571 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts 2025-08-31T10:09:50,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl 2025-08-31T10:09:50,574 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl 2025-08-31T10:09:50,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH 2025-08-31T10:09:50,578 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH 2025-08-31T10:09:50,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14 2025-08-31T10:09:50,581 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14 2025-08-31T10:09:50,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10 2025-08-31T10:09:50,585 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10 2025-08-31T10:09:50,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2 2025-08-31T10:09:50,590 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2 2025-08-31T10:09:50,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h 2025-08-31T10:09:50,595 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h 2025-08-31T10:09:50,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02 2025-08-31T10:09:50,598 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02 2025-08-31T10:09:50,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts 2025-08-31T10:09:50,602 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts 2025-08-31T10:09:50,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts 2025-08-31T10:09:50,605 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts 2025-08-31T10:09:50,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o 2025-08-31T10:09:50,608 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o 2025-08-31T10:09:50,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16 2025-08-31T10:09:50,612 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16 2025-08-31T10:09:50,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots 2025-08-31T10:09:50,618 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots 2025-08-31T10:09:50,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp 2025-08-31T10:09:50,622 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp 2025-08-31T10:09:50,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts 2025-08-31T10:09:50,625 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts 2025-08-31T10:09:50,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09 2025-08-31T10:09:50,629 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09 2025-08-31T10:09:50,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts 2025-08-31T10:09:50,632 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts 2025-08-31T10:09:50,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn 2025-08-31T10:09:50,637 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn 2025-08-31T10:09:50,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2 2025-08-31T10:09:50,641 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2 2025-08-31T10:09:50,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f 2025-08-31T10:09:50,646 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f 2025-08-31T10:09:50,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5 2025-08-31T10:09:50,650 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5 2025-08-31T10:09:50,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts 2025-08-31T10:09:50,654 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts 2025-08-31T10:09:50,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl 2025-08-31T10:09:50,658 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl 2025-08-31T10:09:50,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3 2025-08-31T10:09:50,663 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3 2025-08-31T10:09:50,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18 2025-08-31T10:09:50,669 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18 2025-08-31T10:09:50,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl 2025-08-31T10:09:50,675 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl 2025-08-31T10:09:50,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O 2025-08-31T10:09:50,681 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O 2025-08-31T10:09:50,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2 2025-08-31T10:09:50,684 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2 2025-08-31T10:09:50,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21 2025-08-31T10:09:50,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab 2025-08-31T10:09:50,690 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab 2025-08-31T10:09:50,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII 2025-08-31T10:09:50,693 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII 2025-08-31T10:09:50,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444 2025-08-31T10:09:50,697 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444 2025-08-31T10:09:50,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII 2025-08-31T10:09:50,700 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII 2025-08-31T10:09:50,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691 2025-08-31T10:09:50,704 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691 2025-08-31T10:09:50,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114 2025-08-31T10:09:50,707 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114 2025-08-31T10:09:50,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR 2025-08-31T10:09:50,711 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR 2025-08-31T10:09:50,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b 2025-08-31T10:09:50,714 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b 2025-08-31T10:09:50,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470 2025-08-31T10:09:50,718 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470 2025-08-31T10:09:50,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412 2025-08-31T10:09:50,721 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412 2025-08-31T10:09:50,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR 2025-08-31T10:09:50,725 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR 2025-08-31T10:09:50,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99 2025-08-31T10:09:50,728 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99 2025-08-31T10:09:50,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357 2025-08-31T10:09:50,733 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357 2025-08-31T10:09:50,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300 2025-08-31T10:09:50,736 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300 2025-08-31T10:09:50,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366 2025-08-31T10:09:50,740 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366 2025-08-31T10:09:50,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215 2025-08-31T10:09:50,743 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215 2025-08-31T10:09:50,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b 2025-08-31T10:09:50,747 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b 2025-08-31T10:09:50,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL 2025-08-31T10:09:50,750 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL 2025-08-31T10:09:50,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224 2025-08-31T10:09:50,754 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224 2025-08-31T10:09:50,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab 2025-08-31T10:09:50,757 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab 2025-08-31T10:09:50,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL 2025-08-31T10:09:50,761 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL 2025-08-31T10:09:50,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59 2025-08-31T10:09:50,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl 2025-08-31T10:09:50,768 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl 2025-08-31T10:09:50,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI 2025-08-31T10:09:50,772 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI 2025-08-31T10:09:50,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA 2025-08-31T10:09:50,775 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA 2025-08-31T10:09:50,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA 2025-08-31T10:09:50,779 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA 2025-08-31T10:09:50,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA 2025-08-31T10:09:50,784 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA 2025-08-31T10:09:50,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2 2025-08-31T10:09:50,789 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2 2025-08-31T10:09:50,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr 2025-08-31T10:09:50,793 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr 2025-08-31T10:09:50,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS 2025-08-31T10:09:50,796 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS 2025-08-31T10:09:50,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI 2025-08-31T10:09:50,800 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI 2025-08-31T10:09:50,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB 2025-08-31T10:09:50,803 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB 2025-08-31T10:09:50,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B 2025-08-31T10:09:50,807 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B 2025-08-31T10:09:50,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB 2025-08-31T10:09:50,810 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB 2025-08-31T10:09:50,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA 2025-08-31T10:09:50,815 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA 2025-08-31T10:09:50,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB 2025-08-31T10:09:50,821 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB 2025-08-31T10:09:50,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA 2025-08-31T10:09:50,831 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA 2025-08-31T10:09:50,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB 2025-08-31T10:09:50,841 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB 2025-08-31T10:09:50,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3 2025-08-31T10:09:50,848 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3 2025-08-31T10:09:50,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB 2025-08-31T10:09:50,855 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB 2025-08-31T10:09:50,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB 2025-08-31T10:09:50,865 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB 2025-08-31T10:09:51,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB 2025-08-31T10:09:51,087 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB 2025-08-31T10:09:51,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH 2025-08-31T10:09:51,094 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH 2025-08-31T10:09:51,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe 2025-08-31T10:09:51,101 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe 2025-08-31T10:09:51,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH 2025-08-31T10:09:51,109 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH 2025-08-31T10:09:51,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA 2025-08-31T10:09:51,120 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA 2025-08-31T10:09:51,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr 2025-08-31T10:09:51,133 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr 2025-08-31T10:09:51,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr 2025-08-31T10:09:51,146 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr 2025-08-31T10:09:51,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A 2025-08-31T10:09:51,373 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A 2025-08-31T10:09:51,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr 2025-08-31T10:09:51,381 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr 2025-08-31T10:09:51,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2 2025-08-31T10:09:51,390 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2 2025-08-31T10:09:51,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B 2025-08-31T10:09:51,397 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B 2025-08-31T10:09:51,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3 2025-08-31T10:09:51,402 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3 2025-08-31T10:09:51,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH 2025-08-31T10:09:51,409 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH 2025-08-31T10:09:51,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS 2025-08-31T10:09:51,415 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS 2025-08-31T10:09:51,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl 2025-08-31T10:09:51,420 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl 2025-08-31T10:09:51,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB 2025-08-31T10:09:51,425 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB 2025-08-31T10:09:51,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH 2025-08-31T10:09:51,430 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH 2025-08-31T10:09:51,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3 2025-08-31T10:09:51,436 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3 2025-08-31T10:09:51,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe 2025-08-31T10:09:51,441 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe 2025-08-31T10:09:51,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr 2025-08-31T10:09:51,445 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr 2025-08-31T10:09:51,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A 2025-08-31T10:09:51,453 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A 2025-08-31T10:09:51,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr 2025-08-31T10:09:51,459 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr 2025-08-31T10:09:51,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB 2025-08-31T10:09:51,464 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB 2025-08-31T10:09:51,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI 2025-08-31T10:09:51,468 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI 2025-08-31T10:09:51,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB 2025-08-31T10:09:51,474 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB 2025-08-31T10:09:51,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB 2025-08-31T10:09:51,480 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB 2025-08-31T10:09:51,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI 2025-08-31T10:09:51,485 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI 2025-08-31T10:09:51,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH 2025-08-31T10:09:51,490 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH 2025-08-31T10:09:51,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA 2025-08-31T10:09:51,495 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA 2025-08-31T10:09:51,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB 2025-08-31T10:09:51,500 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB 2025-08-31T10:09:51,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH 2025-08-31T10:09:51,506 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH 2025-08-31T10:09:51,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB 2025-08-31T10:09:51,510 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB 2025-08-31T10:09:51,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS 2025-08-31T10:09:51,514 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS 2025-08-31T10:09:51,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3 2025-08-31T10:09:51,518 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3 2025-08-31T10:09:51,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI 2025-08-31T10:09:51,521 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI 2025-08-31T10:09:51,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA 2025-08-31T10:09:51,526 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA 2025-08-31T10:09:51,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH 2025-08-31T10:09:51,530 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH 2025-08-31T10:09:51,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA 2025-08-31T10:09:51,533 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA 2025-08-31T10:09:51,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS 2025-08-31T10:09:51,537 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS 2025-08-31T10:09:51,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe 2025-08-31T10:09:51,542 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe 2025-08-31T10:09:51,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB 2025-08-31T10:09:51,546 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB 2025-08-31T10:09:51,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB 2025-08-31T10:09:51,552 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB 2025-08-31T10:09:51,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB 2025-08-31T10:09:51,562 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB 2025-08-31T10:09:51,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3 2025-08-31T10:09:51,575 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3 2025-08-31T10:09:51,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH 2025-08-31T10:09:51,656 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH 2025-08-31T10:09:51,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI 2025-08-31T10:09:51,660 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI 2025-08-31T10:09:51,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH 2025-08-31T10:09:51,663 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH 2025-08-31T10:09:51,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl 2025-08-31T10:09:51,667 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl 2025-08-31T10:09:51,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr 2025-08-31T10:09:51,670 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr 2025-08-31T10:09:51,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH 2025-08-31T10:09:51,673 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH 2025-08-31T10:09:51,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB 2025-08-31T10:09:51,677 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB 2025-08-31T10:09:51,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A 2025-08-31T10:09:51,680 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A 2025-08-31T10:09:51,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB 2025-08-31T10:09:51,684 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB 2025-08-31T10:09:51,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA 2025-08-31T10:09:51,688 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA 2025-08-31T10:09:51,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B 2025-08-31T10:09:51,691 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B 2025-08-31T10:09:51,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS 2025-08-31T10:09:51,695 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS 2025-08-31T10:09:51,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr 2025-08-31T10:09:51,698 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr 2025-08-31T10:09:51,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB 2025-08-31T10:09:51,702 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB 2025-08-31T10:09:51,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2 2025-08-31T10:09:51,706 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2 2025-08-31T10:09:51,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2 2025-08-31T10:09:51,709 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2 2025-08-31T10:09:51,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS 2025-08-31T10:09:51,713 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS 2025-08-31T10:09:51,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl 2025-08-31T10:09:51,716 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl 2025-08-31T10:09:51,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr 2025-08-31T10:09:51,720 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr 2025-08-31T10:09:51,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS 2025-08-31T10:09:51,723 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS 2025-08-31T10:09:51,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB 2025-08-31T10:09:51,727 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB 2025-08-31T10:09:51,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB 2025-08-31T10:09:51,730 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB 2025-08-31T10:09:51,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB 2025-08-31T10:09:51,734 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB 2025-08-31T10:09:51,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3 2025-08-31T10:09:51,738 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3 2025-08-31T10:09:51,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr 2025-08-31T10:09:51,741 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr 2025-08-31T10:09:51,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI 2025-08-31T10:09:51,745 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI 2025-08-31T10:09:51,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB 2025-08-31T10:09:51,749 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB 2025-08-31T10:09:51,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe 2025-08-31T10:09:51,753 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe 2025-08-31T10:09:51,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3 2025-08-31T10:09:51,757 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3 2025-08-31T10:09:51,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI 2025-08-31T10:09:51,760 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI 2025-08-31T10:09:51,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS 2025-08-31T10:09:51,764 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS 2025-08-31T10:09:51,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA 2025-08-31T10:09:51,985 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA 2025-08-31T10:09:51,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI 2025-08-31T10:09:51,988 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI 2025-08-31T10:09:51,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI 2025-08-31T10:09:51,992 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI 2025-08-31T10:09:51,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB 2025-08-31T10:09:51,996 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB 2025-08-31T10:09:51,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3 2025-08-31T10:09:51,999 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3 2025-08-31T10:09:52,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr 2025-08-31T10:09:52,003 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr 2025-08-31T10:09:52,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr 2025-08-31T10:09:52,006 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr 2025-08-31T10:09:52,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB 2025-08-31T10:09:52,010 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB 2025-08-31T10:09:52,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr 2025-08-31T10:09:52,013 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr 2025-08-31T10:09:52,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH 2025-08-31T10:09:52,017 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH 2025-08-31T10:09:52,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH 2025-08-31T10:09:52,020 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH 2025-08-31T10:09:52,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26 2025-08-31T10:09:52,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G 2025-08-31T10:09:52,026 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G 2025-08-31T10:09:52,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp 2025-08-31T10:09:52,029 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp 2025-08-31T10:09:52,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp 2025-08-31T10:09:52,033 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp 2025-08-31T10:09:52,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp 2025-08-31T10:09:52,037 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp 2025-08-31T10:09:52,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol 2025-08-31T10:09:52,040 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol 2025-08-31T10:09:52,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6 2025-08-31T10:09:52,044 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6 2025-08-31T10:09:52,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp 2025-08-31T10:09:52,047 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp 2025-08-31T10:09:52,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A 2025-08-31T10:09:52,050 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A 2025-08-31T10:09:52,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp 2025-08-31T10:09:52,054 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp 2025-08-31T10:09:52,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol 2025-08-31T10:09:52,057 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol 2025-08-31T10:09:52,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o 2025-08-31T10:09:52,060 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o 2025-08-31T10:09:52,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp 2025-08-31T10:09:52,064 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp 2025-08-31T10:09:52,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh 2025-08-31T10:09:52,067 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh 2025-08-31T10:09:52,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p 2025-08-31T10:09:52,070 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p 2025-08-31T10:09:52,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3 2025-08-31T10:09:52,074 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3 2025-08-31T10:09:52,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p 2025-08-31T10:09:52,077 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p 2025-08-31T10:09:52,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p 2025-08-31T10:09:52,081 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p 2025-08-31T10:09:52,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4 2025-08-31T10:09:52,084 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4 2025-08-31T10:09:52,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap 2025-08-31T10:09:52,088 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap 2025-08-31T10:09:52,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4 2025-08-31T10:09:52,091 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4 2025-08-31T10:09:52,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2 2025-08-31T10:09:52,096 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2 2025-08-31T10:09:52,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8 2025-08-31T10:09:52,099 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8 2025-08-31T10:09:52,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p 2025-08-31T10:09:52,102 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p 2025-08-31T10:09:52,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3 2025-08-31T10:09:52,106 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3 2025-08-31T10:09:52,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6 2025-08-31T10:09:52,110 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6 2025-08-31T10:09:52,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p 2025-08-31T10:09:52,113 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p 2025-08-31T10:09:52,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly 2025-08-31T10:09:52,117 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly 2025-08-31T10:09:52,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p 2025-08-31T10:09:52,121 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p 2025-08-31T10:09:52,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp 2025-08-31T10:09:52,127 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp 2025-08-31T10:09:52,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p 2025-08-31T10:09:52,131 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p 2025-08-31T10:09:52,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p 2025-08-31T10:09:52,135 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p 2025-08-31T10:09:52,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass 2025-08-31T10:09:52,140 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass 2025-08-31T10:09:52,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s 2025-08-31T10:09:52,145 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s 2025-08-31T10:09:52,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol 2025-08-31T10:09:52,149 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol 2025-08-31T10:09:52,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T 2025-08-31T10:09:52,154 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T 2025-08-31T10:09:52,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp 2025-08-31T10:09:52,159 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp 2025-08-31T10:09:52,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys 2025-08-31T10:09:52,165 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys 2025-08-31T10:09:52,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op 2025-08-31T10:09:52,169 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op 2025-08-31T10:09:52,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp 2025-08-31T10:09:52,172 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp 2025-08-31T10:09:52,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp 2025-08-31T10:09:52,177 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp 2025-08-31T10:09:52,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp 2025-08-31T10:09:52,180 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp 2025-08-31T10:09:52,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2 2025-08-31T10:09:52,184 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2 2025-08-31T10:09:52,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p 2025-08-31T10:09:52,188 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p 2025-08-31T10:09:52,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C 2025-08-31T10:09:52,191 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C 2025-08-31T10:09:52,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp 2025-08-31T10:09:52,195 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp 2025-08-31T10:09:52,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p 2025-08-31T10:09:52,199 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p 2025-08-31T10:09:52,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s 2025-08-31T10:09:52,202 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s 2025-08-31T10:09:52,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp 2025-08-31T10:09:52,206 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp 2025-08-31T10:09:52,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6 2025-08-31T10:09:52,210 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6 2025-08-31T10:09:52,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p 2025-08-31T10:09:52,216 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p 2025-08-31T10:09:52,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl 2025-08-31T10:09:52,223 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl 2025-08-31T10:09:52,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2 2025-08-31T10:09:52,232 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2 2025-08-31T10:09:52,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66 2025-08-31T10:09:52,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B 2025-08-31T10:09:52,255 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B 2025-08-31T10:09:52,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02 2025-08-31T10:09:52,261 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02 2025-08-31T10:09:52,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B 2025-08-31T10:09:52,265 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B 2025-08-31T10:09:52,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A 2025-08-31T10:09:52,270 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A 2025-08-31T10:09:52,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54 2025-08-31T10:09:52,276 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54 2025-08-31T10:09:52,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B 2025-08-31T10:09:52,281 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B 2025-08-31T10:09:52,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A 2025-08-31T10:09:52,285 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A 2025-08-31T10:09:52,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B 2025-08-31T10:09:52,290 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B 2025-08-31T10:09:52,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A 2025-08-31T10:09:52,298 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A 2025-08-31T10:09:52,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A 2025-08-31T10:09:52,307 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A 2025-08-31T10:09:52,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23 2025-08-31T10:09:52,311 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23 2025-08-31T10:09:52,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A 2025-08-31T10:09:52,316 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A 2025-08-31T10:09:52,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08 2025-08-31T10:09:52,322 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08 2025-08-31T10:09:52,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A 2025-08-31T10:09:52,327 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A 2025-08-31T10:09:52,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B 2025-08-31T10:09:52,332 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B 2025-08-31T10:09:52,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B 2025-08-31T10:09:52,338 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B 2025-08-31T10:09:52,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B 2025-08-31T10:09:52,342 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B 2025-08-31T10:09:52,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B 2025-08-31T10:09:52,346 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B 2025-08-31T10:09:52,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A 2025-08-31T10:09:52,352 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A 2025-08-31T10:09:52,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A 2025-08-31T10:09:52,358 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A 2025-08-31T10:09:52,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A 2025-08-31T10:09:52,363 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A 2025-08-31T10:09:52,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B 2025-08-31T10:09:52,368 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B 2025-08-31T10:09:52,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30 2025-08-31T10:09:52,373 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30 2025-08-31T10:09:52,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64 2025-08-31T10:09:52,383 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64 2025-08-31T10:09:52,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57 2025-08-31T10:09:52,394 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57 2025-08-31T10:09:52,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B 2025-08-31T10:09:52,406 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B 2025-08-31T10:09:52,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A 2025-08-31T10:09:52,419 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A 2025-08-31T10:09:52,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A 2025-08-31T10:09:52,430 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A 2025-08-31T10:09:52,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A 2025-08-31T10:09:52,436 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A 2025-08-31T10:09:52,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B 2025-08-31T10:09:52,443 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B 2025-08-31T10:09:52,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B 2025-08-31T10:09:52,453 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B 2025-08-31T10:09:52,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56 2025-08-31T10:09:52,465 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56 2025-08-31T10:09:52,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B 2025-08-31T10:09:52,689 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B 2025-08-31T10:09:52,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B 2025-08-31T10:09:52,695 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B 2025-08-31T10:09:52,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B 2025-08-31T10:09:52,701 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B 2025-08-31T10:09:52,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60 2025-08-31T10:09:52,707 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60 2025-08-31T10:09:52,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B 2025-08-31T10:09:52,713 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B 2025-08-31T10:09:52,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61 2025-08-31T10:09:52,719 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61 2025-08-31T10:09:52,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29 2025-08-31T10:09:52,725 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29 2025-08-31T10:09:52,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06 2025-08-31T10:09:52,731 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06 2025-08-31T10:09:52,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A 2025-08-31T10:09:52,737 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A 2025-08-31T10:09:52,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A 2025-08-31T10:09:52,743 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A 2025-08-31T10:09:52,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42 2025-08-31T10:09:52,749 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42 2025-08-31T10:09:52,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B 2025-08-31T10:09:52,755 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B 2025-08-31T10:09:52,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A 2025-08-31T10:09:52,761 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A 2025-08-31T10:09:52,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10 2025-08-31T10:09:52,765 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10 2025-08-31T10:09:52,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A 2025-08-31T10:09:52,768 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A 2025-08-31T10:09:52,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34 2025-08-31T10:09:52,771 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34 2025-08-31T10:09:52,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A 2025-08-31T10:09:52,775 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A 2025-08-31T10:09:52,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A 2025-08-31T10:09:52,778 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A 2025-08-31T10:09:52,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B 2025-08-31T10:09:52,782 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B 2025-08-31T10:09:52,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A 2025-08-31T10:09:52,785 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A 2025-08-31T10:09:52,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A 2025-08-31T10:09:52,789 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A 2025-08-31T10:09:52,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22 2025-08-31T10:09:52,792 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22 2025-08-31T10:09:52,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A 2025-08-31T10:09:52,796 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A 2025-08-31T10:09:52,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18 2025-08-31T10:09:52,799 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18 2025-08-31T10:09:52,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16 2025-08-31T10:09:52,802 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16 2025-08-31T10:09:52,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B 2025-08-31T10:09:52,806 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B 2025-08-31T10:09:52,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A 2025-08-31T10:09:52,810 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A 2025-08-31T10:09:52,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52 2025-08-31T10:09:52,813 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52 2025-08-31T10:09:52,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04 2025-08-31T10:09:52,816 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04 2025-08-31T10:09:52,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59 2025-08-31T10:09:52,820 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59 2025-08-31T10:09:52,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37 2025-08-31T10:09:52,823 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37 2025-08-31T10:09:52,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B 2025-08-31T10:09:52,827 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B 2025-08-31T10:09:52,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B 2025-08-31T10:09:52,830 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B 2025-08-31T10:09:52,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40 2025-08-31T10:09:52,834 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40 2025-08-31T10:09:52,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B 2025-08-31T10:09:52,837 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B 2025-08-31T10:09:52,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09 2025-08-31T10:09:52,841 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09 2025-08-31T10:09:52,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B 2025-08-31T10:09:52,845 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B 2025-08-31T10:09:52,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A 2025-08-31T10:09:52,849 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A 2025-08-31T10:09:52,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28 2025-08-31T10:09:52,852 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28 2025-08-31T10:09:52,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36 2025-08-31T10:09:52,856 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36 2025-08-31T10:09:52,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A 2025-08-31T10:09:52,859 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A 2025-08-31T10:09:52,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47 2025-08-31T10:09:52,862 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47 2025-08-31T10:09:52,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A 2025-08-31T10:09:52,866 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A 2025-08-31T10:09:52,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A 2025-08-31T10:09:52,869 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A 2025-08-31T10:09:52,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B 2025-08-31T10:09:52,872 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B 2025-08-31T10:09:52,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B 2025-08-31T10:09:52,876 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B 2025-08-31T10:09:52,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A 2025-08-31T10:09:52,880 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A 2025-08-31T10:09:52,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B 2025-08-31T10:09:52,883 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B 2025-08-31T10:09:52,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B 2025-08-31T10:09:52,887 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B 2025-08-31T10:09:52,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21 2025-08-31T10:09:52,891 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21 2025-08-31T10:09:52,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A 2025-08-31T10:09:52,894 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A 2025-08-31T10:09:52,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65 2025-08-31T10:09:52,898 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65 2025-08-31T10:09:52,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66 2025-08-31T10:09:52,901 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66 2025-08-31T10:09:52,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B 2025-08-31T10:09:52,905 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B 2025-08-31T10:09:52,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B 2025-08-31T10:09:52,909 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B 2025-08-31T10:09:52,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13 2025-08-31T10:09:52,912 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13 2025-08-31T10:09:52,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B 2025-08-31T10:09:52,916 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B 2025-08-31T10:09:52,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B 2025-08-31T10:09:52,919 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B 2025-08-31T10:09:52,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58 2025-08-31T10:09:52,923 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58 2025-08-31T10:09:52,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25 2025-08-31T10:09:52,926 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25 2025-08-31T10:09:52,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B 2025-08-31T10:09:52,930 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B 2025-08-31T10:09:52,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32 2025-08-31T10:09:52,934 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32 2025-08-31T10:09:52,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A 2025-08-31T10:09:52,938 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A 2025-08-31T10:09:52,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A 2025-08-31T10:09:52,941 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A 2025-08-31T10:09:52,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A 2025-08-31T10:09:52,945 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A 2025-08-31T10:09:52,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A 2025-08-31T10:09:52,948 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A 2025-08-31T10:09:52,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B 2025-08-31T10:09:52,951 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B 2025-08-31T10:09:52,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A 2025-08-31T10:09:52,955 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A 2025-08-31T10:09:52,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B 2025-08-31T10:09:52,959 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B 2025-08-31T10:09:52,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41 2025-08-31T10:09:52,962 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41 2025-08-31T10:09:52,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14 2025-08-31T10:09:52,966 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14 2025-08-31T10:09:52,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A 2025-08-31T10:09:52,969 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A 2025-08-31T10:09:52,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A 2025-08-31T10:09:52,972 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A 2025-08-31T10:09:52,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A 2025-08-31T10:09:52,976 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A 2025-08-31T10:09:52,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A 2025-08-31T10:09:52,979 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A 2025-08-31T10:09:52,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A 2025-08-31T10:09:52,983 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A 2025-08-31T10:09:52,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15 2025-08-31T10:09:52,987 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15 2025-08-31T10:09:52,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A 2025-08-31T10:09:52,990 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A 2025-08-31T10:09:52,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B 2025-08-31T10:09:52,993 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B 2025-08-31T10:09:52,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A 2025-08-31T10:09:52,998 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A 2025-08-31T10:09:53,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38 2025-08-31T10:09:53,005 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38 2025-08-31T10:09:53,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24 2025-08-31T10:09:53,009 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24 2025-08-31T10:09:53,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B 2025-08-31T10:09:53,012 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B 2025-08-31T10:09:53,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B 2025-08-31T10:09:53,016 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B 2025-08-31T10:09:53,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B 2025-08-31T10:09:53,020 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B 2025-08-31T10:09:53,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A 2025-08-31T10:09:53,023 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A 2025-08-31T10:09:53,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B 2025-08-31T10:09:53,026 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B 2025-08-31T10:09:53,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19 2025-08-31T10:09:53,030 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19 2025-08-31T10:09:53,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01 2025-08-31T10:09:53,033 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01 2025-08-31T10:09:53,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B 2025-08-31T10:09:53,037 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B 2025-08-31T10:09:53,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A 2025-08-31T10:09:53,040 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A 2025-08-31T10:09:53,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A 2025-08-31T10:09:53,043 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A 2025-08-31T10:09:53,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31 2025-08-31T10:09:53,047 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31 2025-08-31T10:09:53,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45 2025-08-31T10:09:53,050 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45 2025-08-31T10:09:53,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B 2025-08-31T10:09:53,054 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B 2025-08-31T10:09:53,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50 2025-08-31T10:09:53,057 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50 2025-08-31T10:09:53,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B 2025-08-31T10:09:53,061 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B 2025-08-31T10:09:53,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26 2025-08-31T10:09:53,064 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26 2025-08-31T10:09:53,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A 2025-08-31T10:09:53,067 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A 2025-08-31T10:09:53,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B 2025-08-31T10:09:53,071 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B 2025-08-31T10:09:53,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B 2025-08-31T10:09:53,074 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B 2025-08-31T10:09:53,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46 2025-08-31T10:09:53,078 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46 2025-08-31T10:09:53,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A 2025-08-31T10:09:53,081 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A 2025-08-31T10:09:53,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03 2025-08-31T10:09:53,085 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03 2025-08-31T10:09:53,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B 2025-08-31T10:09:53,088 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B 2025-08-31T10:09:53,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B 2025-08-31T10:09:53,092 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B 2025-08-31T10:09:53,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20 2025-08-31T10:09:53,095 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20 2025-08-31T10:09:53,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B 2025-08-31T10:09:53,099 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B 2025-08-31T10:09:53,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B 2025-08-31T10:09:53,102 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B 2025-08-31T10:09:53,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B 2025-08-31T10:09:53,106 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B 2025-08-31T10:09:53,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43 2025-08-31T10:09:53,110 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43 2025-08-31T10:09:53,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B 2025-08-31T10:09:53,113 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B 2025-08-31T10:09:53,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44 2025-08-31T10:09:53,117 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44 2025-08-31T10:09:53,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A 2025-08-31T10:09:53,120 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A 2025-08-31T10:09:53,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A 2025-08-31T10:09:53,124 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A 2025-08-31T10:09:53,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A 2025-08-31T10:09:53,127 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A 2025-08-31T10:09:53,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A 2025-08-31T10:09:53,131 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A 2025-08-31T10:09:53,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A 2025-08-31T10:09:53,134 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A 2025-08-31T10:09:53,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A 2025-08-31T10:09:53,138 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A 2025-08-31T10:09:53,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A 2025-08-31T10:09:53,141 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A 2025-08-31T10:09:53,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B 2025-08-31T10:09:53,145 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B 2025-08-31T10:09:53,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B 2025-08-31T10:09:53,148 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B 2025-08-31T10:09:53,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A 2025-08-31T10:09:53,151 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A 2025-08-31T10:09:53,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B 2025-08-31T10:09:53,155 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B 2025-08-31T10:09:53,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A 2025-08-31T10:09:53,159 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A 2025-08-31T10:09:53,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B 2025-08-31T10:09:53,162 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B 2025-08-31T10:09:53,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33 2025-08-31T10:09:53,166 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33 2025-08-31T10:09:53,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12 2025-08-31T10:09:53,170 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12 2025-08-31T10:09:53,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53 2025-08-31T10:09:53,173 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53 2025-08-31T10:09:53,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A 2025-08-31T10:09:53,176 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A 2025-08-31T10:09:53,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17 2025-08-31T10:09:53,180 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17 2025-08-31T10:09:53,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55 2025-08-31T10:09:53,183 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55 2025-08-31T10:09:53,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B 2025-08-31T10:09:53,187 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B 2025-08-31T10:09:53,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35 2025-08-31T10:09:53,190 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35 2025-08-31T10:09:53,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A 2025-08-31T10:09:53,194 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A 2025-08-31T10:09:53,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B 2025-08-31T10:09:53,197 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B 2025-08-31T10:09:53,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B 2025-08-31T10:09:53,200 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B 2025-08-31T10:09:53,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A 2025-08-31T10:09:53,204 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A 2025-08-31T10:09:53,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B 2025-08-31T10:09:53,207 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B 2025-08-31T10:09:53,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51 2025-08-31T10:09:53,211 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51 2025-08-31T10:09:53,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A 2025-08-31T10:09:53,215 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A 2025-08-31T10:09:53,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B 2025-08-31T10:09:53,218 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B 2025-08-31T10:09:53,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A 2025-08-31T10:09:53,221 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A 2025-08-31T10:09:53,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39 2025-08-31T10:09:53,225 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39 2025-08-31T10:09:53,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49 2025-08-31T10:09:53,228 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49 2025-08-31T10:09:53,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A 2025-08-31T10:09:53,232 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A 2025-08-31T10:09:53,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A 2025-08-31T10:09:53,235 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A 2025-08-31T10:09:53,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05 2025-08-31T10:09:53,239 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05 2025-08-31T10:09:53,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B 2025-08-31T10:09:53,242 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B 2025-08-31T10:09:53,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B 2025-08-31T10:09:53,246 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B 2025-08-31T10:09:53,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B 2025-08-31T10:09:53,249 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B 2025-08-31T10:09:53,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B 2025-08-31T10:09:53,253 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B 2025-08-31T10:09:53,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48 2025-08-31T10:09:53,257 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48 2025-08-31T10:09:53,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63 2025-08-31T10:09:53,261 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63 2025-08-31T10:09:53,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B 2025-08-31T10:09:53,264 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B 2025-08-31T10:09:53,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07 2025-08-31T10:09:53,268 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07 2025-08-31T10:09:53,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B 2025-08-31T10:09:53,271 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B 2025-08-31T10:09:53,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62 2025-08-31T10:09:53,277 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62 2025-08-31T10:09:53,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A 2025-08-31T10:09:53,280 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A 2025-08-31T10:09:53,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B 2025-08-31T10:09:53,284 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B 2025-08-31T10:09:53,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A 2025-08-31T10:09:53,288 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A 2025-08-31T10:09:53,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A 2025-08-31T10:09:53,291 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A 2025-08-31T10:09:53,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A 2025-08-31T10:09:53,295 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A 2025-08-31T10:09:53,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11 2025-08-31T10:09:53,299 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11 2025-08-31T10:09:53,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A 2025-08-31T10:09:53,303 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A 2025-08-31T10:09:53,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27 2025-08-31T10:09:53,308 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27 2025-08-31T10:09:53,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13 2025-08-31T10:09:53,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip 2025-08-31T10:09:53,314 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip 2025-08-31T10:09:53,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add 2025-08-31T10:09:53,317 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add 2025-08-31T10:09:53,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl 2025-08-31T10:09:53,321 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl 2025-08-31T10:09:53,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb 2025-08-31T10:09:53,324 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb 2025-08-31T10:09:53,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2 2025-08-31T10:09:53,328 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2 2025-08-31T10:09:53,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2 2025-08-31T10:09:53,331 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2 2025-08-31T10:09:53,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8 2025-08-31T10:09:53,335 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8 2025-08-31T10:09:53,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35 2025-08-31T10:09:53,338 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35 2025-08-31T10:09:53,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene 2025-08-31T10:09:53,342 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene 2025-08-31T10:09:53,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be 2025-08-31T10:09:53,346 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be 2025-08-31T10:09:53,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1 2025-08-31T10:09:53,349 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1 2025-08-31T10:09:53,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen 2025-08-31T10:09:53,353 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen 2025-08-31T10:09:53,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3 2025-08-31T10:09:53,356 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3 2025-08-31T10:09:53,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6 2025-08-31T10:09:53,360 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6 2025-08-31T10:09:53,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2 2025-08-31T10:09:53,363 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2 2025-08-31T10:09:53,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4 2025-08-31T10:09:53,366 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4 2025-08-31T10:09:53,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4 2025-08-31T10:09:53,370 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4 2025-08-31T10:09:53,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2 2025-08-31T10:09:53,373 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2 2025-08-31T10:09:53,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6 2025-08-31T10:09:53,378 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6 2025-08-31T10:09:53,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35 2025-08-31T10:09:53,383 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35 2025-08-31T10:09:53,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen 2025-08-31T10:09:53,386 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen 2025-08-31T10:09:53,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2 2025-08-31T10:09:53,390 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2 2025-08-31T10:09:53,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne 2025-08-31T10:09:53,394 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne 2025-08-31T10:09:53,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36 2025-08-31T10:09:53,397 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36 2025-08-31T10:09:53,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36 2025-08-31T10:09:53,401 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36 2025-08-31T10:09:53,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add 2025-08-31T10:09:53,404 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add 2025-08-31T10:09:53,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage 2025-08-31T10:09:53,408 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage 2025-08-31T10:09:53,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1 2025-08-31T10:09:53,411 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1 2025-08-31T10:09:53,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL 2025-08-31T10:09:53,415 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL 2025-08-31T10:09:53,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41 2025-08-31T10:09:53,418 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41 2025-08-31T10:09:53,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,422 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,425 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,426 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,428 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,430 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,432 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,434 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,436 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,437 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,439 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,441 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,443 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,444 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,446 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CHB6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,448 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,449 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVYSB11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,451 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,453 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,454 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,456 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,458 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,460 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2025-08-31T10:09:53,464 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset 2025-08-31T10:09:53,466 copying build/lib/xcbm/MGCDB84_Dataset/DatasetEval.csv -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset 2025-08-31T10:09:53,488 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries 2025-08-31T10:09:53,502 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,519 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,521 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,523 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,558 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,560 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,565 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,583 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,590 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,592 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,594 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,596 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,599 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,601 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,606 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,608 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,610 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,622 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,624 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,626 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,629 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,633 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,654 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,680 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,683 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,695 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,697 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,704 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,722 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,728 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,734 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,737 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,739 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,741 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,747 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,749 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,751 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,755 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,761 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,769 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,778 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,783 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,788 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,790 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,792 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,802 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,807 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,809 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,814 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,816 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,818 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,823 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,825 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,830 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,832 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,843 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,848 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,853 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,857 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,881 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,885 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,898 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,928 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,932 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,933 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,935 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,937 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,940 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,944 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,952 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,959 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,961 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,963 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,966 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,968 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,973 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,975 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,980 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,982 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,983 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,985 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,987 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:53,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,001 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,004 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,006 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,008 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,013 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,023 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,028 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,032 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,038 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,043 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,045 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,049 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,054 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,064 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,071 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,073 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,076 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,078 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,080 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,085 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,089 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,096 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,098 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,106 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,119 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,132 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,144 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,151 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,153 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,163 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,165 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,168 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,170 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,172 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,179 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,183 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,186 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,188 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,190 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,194 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,199 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,205 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,207 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,209 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,211 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,214 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,223 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,225 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,227 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,232 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,234 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,244 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,258 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,271 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,284 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,286 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,291 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,307 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,312 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,314 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,324 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,332 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,334 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,344 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,346 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,348 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,362 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,366 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,369 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,371 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,373 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,374 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,378 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,381 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,383 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,386 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,391 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,393 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,400 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,409 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,411 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,420 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,423 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,425 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,468 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,470 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,472 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,480 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,482 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,484 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,486 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,491 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,493 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,495 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,498 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,500 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,505 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,514 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,519 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,521 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,523 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,558 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,560 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,572 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,577 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,579 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,588 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,590 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,599 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,601 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,614 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,622 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,624 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,626 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,629 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,633 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,659 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,672 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,678 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,679 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,681 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,683 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,691 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,693 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,704 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,708 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,710 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,737 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,739 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2025-08-31T10:09:54,741 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:09:54,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:09:54,744 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:09:54,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:09:54,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:09:54,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:09:54,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:09:54,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:09:54,755 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2025-08-31T10:09:54,759 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,769 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,776 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,784 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,792 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,800 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,807 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,809 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,826 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,828 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,833 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,838 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,840 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,847 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,852 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,854 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,857 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,859 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,879 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,881 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2025-08-31T10:09:54,885 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,886 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,888 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,890 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,893 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,916 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,918 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,923 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,929 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,932 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,938 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,945 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2025-08-31T10:09:54,952 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,959 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,965 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,973 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,975 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,980 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,983 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,985 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:54,998 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:55,000 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:55,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:55,004 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:55,005 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:55,007 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:55,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:55,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:55,013 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:55,015 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:55,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:55,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:55,020 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:55,022 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:55,024 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2025-08-31T10:09:55,026 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2025-08-31T10:09:55,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2025-08-31T10:09:55,029 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2025-08-31T10:09:55,031 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2025-08-31T10:09:55,033 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2025-08-31T10:09:55,035 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,038 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,041 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,043 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,045 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,050 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,052 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,054 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,068 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,081 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2025-08-31T10:09:55,083 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:09:55,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:09:55,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:09:55,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:09:55,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:09:55,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:09:55,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:09:55,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:09:55,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:09:55,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:09:55,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:09:55,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:09:55,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2025-08-31T10:09:55,108 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,111 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,113 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,132 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,134 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,144 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,151 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,159 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,163 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,166 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,168 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,170 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,178 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,190 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,194 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,199 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,207 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,209 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,211 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,214 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2025-08-31T10:09:55,224 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,225 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,227 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,229 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,232 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,234 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,244 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,259 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,268 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,275 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,282 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,284 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,286 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,291 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,296 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2025-08-31T10:09:55,302 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,303 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,305 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,308 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,310 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,318 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,325 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,338 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,342 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,348 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,350 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,352 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,359 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,362 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,366 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,369 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,371 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,373 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,378 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,383 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,388 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,395 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,397 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,402 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,404 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,406 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,411 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,413 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,415 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,419 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,423 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,425 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,431 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,437 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,442 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,444 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,446 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,453 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,455 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2025-08-31T10:09:55,483 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,484 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,486 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,495 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,523 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,540 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,544 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,558 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,560 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,565 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,567 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,588 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,596 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,601 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,608 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,610 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,614 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,625 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,629 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,632 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,634 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,652 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,654 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,659 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,661 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,675 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,678 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,680 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,683 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,691 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,693 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,695 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,697 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,703 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,705 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,712 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,714 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,716 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,722 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,724 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,728 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,747 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,749 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,751 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,756 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,761 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,784 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,788 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,800 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,807 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,814 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,823 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,826 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,828 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,833 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,838 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,843 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,847 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,852 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,854 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,861 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,863 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,866 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,868 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,873 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,886 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,893 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,896 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,898 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,907 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,914 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,916 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,918 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,921 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,923 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,928 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,932 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,938 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,940 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,945 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,947 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,952 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,959 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,961 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,966 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,968 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,973 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,975 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,977 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,979 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,982 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,984 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,991 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:55,998 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,000 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,004 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,006 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,008 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,013 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,015 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,017 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,020 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,022 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,023 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,029 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,032 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,037 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,041 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,044 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,049 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,057 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,061 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,068 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,081 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,098 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,100 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,102 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,107 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,132 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,134 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,136 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,138 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,144 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,148 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,150 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,151 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,153 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,155 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,157 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,162 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,166 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,169 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,178 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,184 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 2025-08-31T10:09:56,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,196 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,222 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,243 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,247 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,254 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,256 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,259 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,261 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,263 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,266 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,268 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,305 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,307 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,318 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,320 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,322 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,324 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,329 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,338 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,348 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,350 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2025-08-31T10:09:56,353 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:09:56,354 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:09:56,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:09:56,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:09:56,359 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:09:56,361 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:09:56,363 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:09:56,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:09:56,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2025-08-31T10:09:56,370 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,371 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,373 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,378 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,397 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,409 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,411 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,413 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,415 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,419 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,426 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,428 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,437 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,439 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,491 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,493 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,495 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2025-08-31T10:09:56,518 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,540 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,544 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,572 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,574 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,581 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,583 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,599 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,606 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,608 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,610 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,619 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,625 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,629 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,634 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,659 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,672 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,679 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,681 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,683 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,704 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,716 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,744 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,755 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,773 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,776 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,778 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,783 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,788 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,790 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,792 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,802 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,804 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,826 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,828 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,833 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,838 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,840 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,847 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,852 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,854 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,879 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,886 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,893 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,896 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,898 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,914 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,916 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,918 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,924 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,928 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,931 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,933 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,935 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,937 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,944 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,947 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,949 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,954 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,956 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,966 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,968 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,970 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,979 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,982 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,984 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2025-08-31T10:09:56,991 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:56,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:56,994 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:56,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:56,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:56,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,000 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,004 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,005 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,007 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,012 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,023 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,026 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,028 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2025-08-31T10:09:57,033 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/24_H_x+g-x+_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,035 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,037 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/18_H_g+x-t+_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,044 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/17_H_g+x-g-_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,049 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,052 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,054 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/14_H_g+t+g-_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/21_H_t+g+x-_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,061 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/23_H_x+g-g-_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2025-08-31T10:09:57,065 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:09:57,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:09:57,068 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:09:57,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:09:57,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:09:57,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:09:57,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:09:57,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:09:57,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2025-08-31T10:09:57,082 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,083 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,085 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,096 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,098 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,100 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,102 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,107 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,111 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,113 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,115 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,119 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,144 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,148 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,150 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,157 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,159 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,163 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,165 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,169 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,178 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,186 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,203 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,205 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,207 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,209 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,223 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,225 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,229 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,238 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,240 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,243 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,250 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2025-08-31T10:09:57,259 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,266 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,291 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,296 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,307 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,312 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,314 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,318 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,320 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,325 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,327 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,336 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,338 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,346 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,348 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,350 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2025-08-31T10:09:57,362 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2025-08-31T10:09:57,363 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2025-08-31T10:09:57,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2025-08-31T10:09:57,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2025-08-31T10:09:57,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2025-08-31T10:09:57,371 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2025-08-31T10:09:57,374 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,391 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,397 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,406 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,415 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,420 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,423 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,425 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,437 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,439 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,442 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,444 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,446 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,448 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,453 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,455 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,457 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,465 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,472 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,478 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2025-08-31T10:09:57,481 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,482 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,491 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,493 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,498 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,511 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,544 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,546 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,552 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2025-08-31T10:09:57,560 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,565 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,581 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,583 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,588 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,590 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,596 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,610 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,622 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,625 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,629 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2025-08-31T10:09:57,634 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,654 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,656 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,659 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,661 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,678 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,680 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,683 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,691 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,697 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,699 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,701 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,704 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,708 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2025-08-31T10:09:57,715 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:09:57,716 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:09:57,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:09:57,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:09:57,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:09:57,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:09:57,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:09:57,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:09:57,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2025-08-31T10:09:57,734 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,737 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,744 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,747 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,749 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,751 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,756 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,758 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,761 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,773 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,780 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,784 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,792 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,800 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,816 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,818 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,825 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,830 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,832 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,847 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,852 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,854 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,857 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,859 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,861 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,866 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,868 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,873 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,881 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,885 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,888 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,890 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,896 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,898 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,907 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,916 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,918 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,924 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,929 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,932 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,938 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,940 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,945 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,947 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,952 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,954 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,959 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,966 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,968 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,970 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,973 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,975 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,977 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,979 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,982 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,984 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,991 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:57,998 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,000 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,004 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,006 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,008 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,010 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,013 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,015 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,017 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,020 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,022 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,024 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,029 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,031 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,032 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,038 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,041 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,043 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,045 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,050 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,052 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,054 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,057 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,059 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,061 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,064 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,069 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,071 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,073 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,076 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,078 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,080 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,083 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,085 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,089 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,096 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,098 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2025-08-31T10:09:58,106 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,107 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,111 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,119 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,132 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,134 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,144 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,151 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,163 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,165 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,169 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2025-08-31T10:09:58,179 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,190 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,194 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,196 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,203 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,205 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,207 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,214 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,217 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,219 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,222 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,240 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,244 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,256 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,258 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2025-08-31T10:09:58,261 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,271 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,307 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2025-08-31T10:09:58,319 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,320 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,322 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,324 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,329 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,336 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,338 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,342 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,350 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,352 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,354 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,359 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,361 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,363 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,374 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2025-08-31T10:09:58,388 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,391 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,393 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,395 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,400 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,402 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,409 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,419 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,426 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,428 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,431 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2025-08-31T10:09:58,438 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,439 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,444 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,446 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,448 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,455 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,457 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,478 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,480 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,482 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,484 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,491 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,511 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,546 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,548 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,552 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2025-08-31T10:09:58,556 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,560 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,574 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,581 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,583 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,590 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,592 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,594 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,599 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,601 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,606 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,608 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,610 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,622 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,625 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,632 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,634 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,672 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,679 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,681 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,686 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,688 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,691 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,693 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,695 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,697 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,699 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,704 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,705 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,712 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,714 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,716 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,722 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,728 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,744 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,747 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,749 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,751 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,756 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,758 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,761 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2025-08-31T10:09:58,770 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2025-08-31T10:09:58,771 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2025-08-31T10:09:58,773 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2025-08-31T10:09:58,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2025-08-31T10:09:58,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2025-08-31T10:09:58,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2025-08-31T10:09:58,781 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,784 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,788 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,800 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,802 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,807 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,826 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,833 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,838 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2025-08-31T10:09:58,842 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,843 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,848 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,853 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,857 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,866 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,873 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,881 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,885 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,888 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,890 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,893 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,901 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,910 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,921 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,923 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,928 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,932 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,933 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,935 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,937 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,940 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,944 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,947 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,949 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,954 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,956 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,963 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,965 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,970 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,980 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,982 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,983 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,985 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,987 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,989 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,994 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,996 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_dim_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,998 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:58,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monB_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:59,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monA_HW30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW30 2025-08-31T10:09:59,006 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,007 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/210_nh2cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,012 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,023 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,026 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,028 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,031 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,033 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/152_c-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,035 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,037 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,044 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,049 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,054 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/241_sih3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,061 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,068 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,081 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,089 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,096 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,098 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/132_ccl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,100 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,107 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/242_sih4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,119 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/244_sio_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,126 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/208_nccn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/157_clf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,134 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,136 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,138 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,144 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/243_sih_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,151 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,153 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/151_c-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,163 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,165 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/135_cf4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,169 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,179 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/206_n2h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,183 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,186 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/212_nh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,188 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,190 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/139_ch2f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,199 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,213 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/149_c-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,217 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,219 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,222 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/160_c-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/153_cl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/142_ch2-sing_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,244 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,247 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,250 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,256 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,259 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/141_ch2nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,271 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/205_n2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2025-08-31T10:09:59,282 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,296 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,307 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,312 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,314 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,318 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2025-08-31T10:09:59,320 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,325 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,327 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,332 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,334 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,336 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,338 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,348 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,350 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,352 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,354 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,359 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,361 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,362 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,366 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,374 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,378 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,386 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2025-08-31T10:09:59,389 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,391 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,400 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,409 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,415 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,420 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,423 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,425 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2025-08-31T10:09:59,431 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,437 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,439 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,468 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,470 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,478 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,480 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,482 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,500 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,507 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,509 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,511 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,514 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,516 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,521 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,523 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,540 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,558 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,560 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,565 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,567 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2025-08-31T10:09:59,602 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,608 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,610 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,614 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,619 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,624 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,626 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,633 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,654 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,656 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,661 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,663 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,672 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,675 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,679 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,681 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,686 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,688 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,691 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,695 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,697 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,701 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,703 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,705 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,708 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,710 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,722 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,724 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,734 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2025-08-31T10:09:59,742 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,751 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,755 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,758 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,769 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,784 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,788 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,800 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,807 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,809 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,818 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,825 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,830 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,832 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2025-08-31T10:09:59,839 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,840 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,843 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,847 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,853 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,857 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,863 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,879 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,881 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,885 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,901 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2025-08-31T10:09:59,912 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6 2025-08-31T10:09:59,914 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:09:59,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:09:59,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:09:59,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:09:59,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:09:59,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:09:59,924 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:09:59,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:09:59,928 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2025-08-31T10:09:59,931 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,932 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,938 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,940 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,945 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,947 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,952 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,954 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,956 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,959 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,961 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,963 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,965 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,970 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,980 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,982 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,983 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,985 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,987 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,994 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,996 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:09:59,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:10:00,001 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:10:00,003 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:10:00,005 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:10:00,006 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:10:00,008 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:10:00,010 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:10:00,012 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:10:00,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:10:00,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:10:00,017 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:10:00,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/48_cis-1_3_5-Hexatriene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:10:00,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:10:00,022 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:10:00,024 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2025-08-31T10:10:00,027 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,028 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,032 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,033 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,035 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,037 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,044 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,049 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,057 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,059 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,061 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,068 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,081 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,083 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,085 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,089 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,096 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,098 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,100 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,102 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,106 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2025-08-31T10:10:00,109 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,111 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,113 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,115 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,132 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,134 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2025-08-31T10:10:00,145 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,148 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,150 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,155 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,157 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,159 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,162 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,166 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,169 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,172 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,178 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,194 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,196 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,199 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,211 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,213 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,217 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,222 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,227 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,229 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,232 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,234 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,236 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,244 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,258 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,284 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,286 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,291 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,308 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,310 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,318 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,320 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,322 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,324 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,332 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,334 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,346 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,348 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,350 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,362 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,366 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,369 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,371 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,373 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,378 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,387 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 2025-08-31T10:10:00,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,409 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,411 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,420 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,423 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,425 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,439 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,448 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,453 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,455 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,457 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,478 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,480 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,493 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,495 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,500 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,507 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,509 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,511 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,523 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,544 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,546 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,558 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,560 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,565 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,577 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,601 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,608 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,610 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,614 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,619 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,622 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,624 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,626 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,632 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2025-08-31T10:10:00,635 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,656 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,672 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,675 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,678 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,680 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2025-08-31T10:10:00,697 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,704 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,714 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,716 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,728 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,734 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,744 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,747 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,749 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,751 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,756 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,758 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,761 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,776 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,783 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,788 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,790 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,800 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,802 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,804 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,807 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,809 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,816 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,818 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,826 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,832 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,838 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,843 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,847 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,848 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,852 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,857 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,859 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,861 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,866 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,868 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,896 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,898 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,910 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,921 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,924 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,928 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,931 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,933 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,935 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,937 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,944 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,956 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,961 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,963 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,965 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,980 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,982 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,984 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,985 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,987 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,989 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,991 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,994 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,996 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,998 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:00,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,001 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,003 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,005 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,007 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,008 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,010 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,012 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,020 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,023 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,029 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,031 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,033 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,035 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,038 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,044 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,050 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,057 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,059 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,061 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,069 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,076 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,078 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,080 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,089 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,102 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,106 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,111 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,113 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,115 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,124 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,145 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,148 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,150 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,157 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,159 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,166 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,168 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,170 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,172 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,179 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,183 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,190 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,194 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,196 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,203 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,205 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,222 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,225 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,227 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,229 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,232 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,234 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,236 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,244 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,250 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,259 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,266 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,271 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,273 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,275 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,282 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,284 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,286 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,303 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,305 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,307 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,308 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,310 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,312 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,314 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,324 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,332 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,338 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,342 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,344 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,350 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,352 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,354 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,359 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,361 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,363 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,366 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,371 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,373 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,378 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,381 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,383 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,419 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,423 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,425 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,431 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,455 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,457 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,468 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,470 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,472 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,478 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,507 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,509 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,511 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,514 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,516 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,521 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,523 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,540 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,552 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,558 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,560 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,565 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,567 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,572 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,574 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,583 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,592 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,594 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,596 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,610 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,619 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,622 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,624 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,626 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,629 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,633 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,663 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2025-08-31T10:10:01,669 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,672 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,678 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,679 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,681 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,683 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,686 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,688 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,691 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,693 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,695 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,697 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2025-08-31T10:10:01,702 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:10:01,703 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:10:01,705 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:10:01,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:10:01,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:10:01,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:10:01,712 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:10:01,714 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:10:01,716 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:10:01,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:10:01,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:10:01,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:10:01,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:10:01,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:10:01,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:10:01,728 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:10:01,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2025-08-31T10:10:01,733 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,747 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,749 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,751 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,756 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,758 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,769 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,771 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,773 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,776 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,778 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,780 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,784 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,800 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,802 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,804 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,807 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,809 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,814 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,816 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2025-08-31T10:10:01,825 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:10:01,826 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:10:01,828 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:10:01,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:10:01,833 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:10:01,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:10:01,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:10:01,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:10:01,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:10:01,843 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:10:02,064 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:10:02,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:10:02,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:10:02,069 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:10:02,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:10:02,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:10:02,073 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2025-08-31T10:10:02,076 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,080 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,083 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,085 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,102 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,106 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,111 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,119 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,124 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,126 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2025-08-31T10:10:02,130 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:10:02,132 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:10:02,134 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:10:02,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:10:02,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:10:02,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:10:02,145 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:10:02,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:10:02,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:10:02,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:10:02,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:10:02,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:10:02,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:10:02,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:10:02,163 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:10:02,165 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:10:02,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2025-08-31T10:10:02,172 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,179 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,186 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,188 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,196 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,205 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,207 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,217 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,219 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,232 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,234 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,236 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,243 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,252 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,254 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,256 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,258 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,259 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,261 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,263 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,268 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,275 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,282 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,284 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,286 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,291 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,296 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,303 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,305 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,307 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,322 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,324 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,329 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,338 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,348 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,350 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,352 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,359 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,362 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,366 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2025-08-31T10:10:02,368 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,369 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,371 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,373 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,386 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,397 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2025-08-31T10:10:02,417 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,420 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,423 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,425 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,465 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,468 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,470 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,472 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,478 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,480 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,482 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,491 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,498 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,500 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2025-08-31T10:10:02,505 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,514 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,516 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,540 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,548 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,552 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,558 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,560 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,565 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,567 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,572 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,574 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2025-08-31T10:10:02,595 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,596 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,601 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,614 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,619 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,624 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,626 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,629 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,633 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,654 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,656 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,659 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,661 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,663 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,672 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,679 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,681 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,686 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,691 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,693 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,701 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,703 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,705 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,710 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,712 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,714 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,716 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,724 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,728 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,734 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,739 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,741 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,747 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,755 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,761 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,769 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,771 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,776 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,783 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,788 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,790 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,792 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,800 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,802 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,804 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,826 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,828 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,830 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,832 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,838 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,843 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,848 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,853 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,857 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,866 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,868 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,873 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,886 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,896 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,901 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,903 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,905 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,907 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,910 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,912 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,914 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,921 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,923 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,924 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,928 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,931 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,933 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,935 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,937 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,938 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,940 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,944 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,959 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,961 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,966 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,968 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,970 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,973 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,975 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,977 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,980 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,982 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,984 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,985 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,987 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,989 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,991 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,996 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:02,998 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,000 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,004 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,006 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,007 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,013 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,015 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,020 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,022 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,023 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,029 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,032 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,037 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,041 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,043 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,045 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,050 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,052 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,054 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,057 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,059 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,061 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,064 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,068 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,071 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,073 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,076 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,078 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,080 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,083 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,085 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,089 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,096 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,098 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,100 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,107 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,124 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,126 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,138 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,144 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,148 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,151 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,153 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,155 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,162 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,166 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,169 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,178 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,183 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,186 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,188 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,190 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,205 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,207 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,209 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,211 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,214 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,223 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,225 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,227 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,232 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,234 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,244 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,247 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,254 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,256 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,259 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,263 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,268 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,273 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,275 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,296 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,307 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,312 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,314 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,318 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,325 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,327 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,332 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,334 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,342 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,344 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,346 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,352 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,354 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,359 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,361 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,363 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,366 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,374 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,381 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,386 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,391 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,395 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,397 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,400 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,402 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,404 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,409 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,411 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,420 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,423 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,425 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,428 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,437 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,442 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,444 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,446 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,453 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,468 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,478 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,480 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,495 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,511 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,521 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,523 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,540 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,544 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,546 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,567 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,574 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,579 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,581 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,583 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,588 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,590 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2025-08-31T10:10:03,610 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:10:03,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:10:03,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:10:03,614 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:10:03,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:10:03,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:10:03,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:10:03,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:10:03,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:10:03,625 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:10:03,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:10:03,629 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:10:03,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:10:03,632 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:10:03,633 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2025-08-31T10:10:03,636 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,652 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,654 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,656 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,659 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,661 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,663 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2025-08-31T10:10:03,674 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:10:03,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:10:03,678 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:10:03,679 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:10:03,681 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:10:03,683 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:10:03,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:10:03,686 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:10:03,688 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:10:03,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:10:03,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:10:03,693 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:10:03,695 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:10:03,697 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:10:03,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2025-08-31T10:10:03,701 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,704 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,708 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,724 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,728 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,747 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,749 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,756 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,758 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,761 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2025-08-31T10:10:03,768 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,769 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,771 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,773 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,776 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,778 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,780 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,783 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,788 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,790 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,792 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,804 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,809 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,816 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,818 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,826 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,833 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,838 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,840 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,848 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,853 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,854 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,863 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,886 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,896 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,901 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,903 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,905 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,910 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,912 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,914 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,916 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,921 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,923 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,928 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,932 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,935 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,937 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,944 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,952 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,954 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,959 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,961 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,963 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,965 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,966 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,968 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,970 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,975 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,977 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,979 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,983 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2025-08-31T10:10:03,988 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:03,989 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:03,991 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:03,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:03,994 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:03,996 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:03,998 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,000 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,003 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,005 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,007 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,010 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,012 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,015 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,017 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,020 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,022 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,024 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,029 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,031 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,032 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,038 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,041 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,043 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,045 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,049 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,050 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,052 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,054 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,059 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,061 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,068 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,080 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,096 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,098 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,100 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,102 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,107 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,119 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,126 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,136 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,138 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,145 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,150 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,159 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,163 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,165 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,169 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,170 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,172 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,179 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,183 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,186 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,188 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,190 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,199 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,207 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,209 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,211 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,213 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,222 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,229 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,232 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,234 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,236 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,238 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,240 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,243 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,247 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,250 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,252 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,254 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,259 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,261 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,266 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,268 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,273 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,275 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,282 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,291 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,296 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,303 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,305 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,307 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,310 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,312 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,314 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,325 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,338 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,342 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,344 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,348 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,350 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,352 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2025-08-31T10:10:04,364 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/192_BzH2S-3p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/182_BzBz_T-5p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,369 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/229_MeMe-3p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,371 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/260_PyPy_S2-4p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/161_BzBz_S-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,374 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/268_PyPy_T3-4p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/183_BzBz_T-5p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,378 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/168_BzBz_S-5p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/198_BzH2S-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,381 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 2025-08-31T10:10:04,383 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/273_PyPy_T3-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/194_BzH2S-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/223_BzMe-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/151_BzBz_PD36-2p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/269_PyPy_T3-4p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/108_BzBz_PD32-1p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,397 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/120_BzBz_PD34-0p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/233_MeMe-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,401 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 2025-08-31T10:10:04,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/105_BzBz_PD32-1p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,405 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 2025-08-31T10:10:04,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/248_PyPy_S2-3p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,409 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/237_MeMe-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,410 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 2025-08-31T10:10:04,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/276_PyPy_T3-5p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/199_BzH2S-4p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/187_BzBz_T-7p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,419 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/202_BzH2S-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,423 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 2025-08-31T10:10:04,425 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 2025-08-31T10:10:04,426 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/126_BzBz_PD34-1p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,428 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/225_BzMe-5p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/220_BzMe-4p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/272_PyPy_T3-4p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,437 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/250_PyPy_S2-3p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,439 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,440 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 2025-08-31T10:10:04,442 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,444 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,446 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/217_BzMe-4p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/262_PyPy_S2-5p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,453 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/253_PyPy_S2-3p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/205_BzH2S-6p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/259_PyPy_S2-4p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/263_PyPy_S2-6p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/195_BzH2S-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/219_BzMe-4p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,464 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 2025-08-31T10:10:04,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/127_BzBz_PD34-1p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/278_PyPy_T3-5p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/164_BzBz_S-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/114_BzBz_PD32-2p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/175_BzBz_T-4p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,478 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/234_MeMe-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,480 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/241_MeMe-4p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/252_PyPy_S2-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/211_BzMe-3p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,487 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 2025-08-31T10:10:04,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/133_BzBz_PD34-2p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/113_BzBz_PD32-2p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/112_BzBz_PD32-1p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/230_MeMe-3p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/216_BzMe-3p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/222_BzMe-4p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,503 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 2025-08-31T10:10:04,505 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 2025-08-31T10:10:04,506 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 2025-08-31T10:10:04,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/136_BzBz_PD34-3p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/281_PyPy_T3-6p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,511 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/227_BzMe-6p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/206_BzH2S-6p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/193_BzH2S-3p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/271_PyPy_T3-4p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/121_BzBz_PD34-0p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/238_MeMe-4p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/140_BzBz_PD36-0p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/204_BzH2S-5p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/158_BzBz_S-3p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/117_BzBz_PD32-2p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/201_BzH2S-4p75_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/179_BzBz_T-5p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/157_BzBz_S-3p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/274_PyPy_T3-5p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/159_BzBz_S-3p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,540 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 2025-08-31T10:10:04,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/210_BzMe-3p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,544 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/191_BzH2S-3p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/102_BzBz_PD32-0p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,549 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 2025-08-31T10:10:04,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/132_BzBz_PD34-2p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,552 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 2025-08-31T10:10:04,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/149_BzBz_PD36-2p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,556 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 2025-08-31T10:10:04,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/235_MeMe-3p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/257_PyPy_S2-4p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,565 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/212_BzMe-3p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/122_BzBz_PD34-0p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/244_MeMe-5p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,572 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/255_PyPy_S2-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/247_PyPy_S2-3p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,577 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/203_BzH2S-5p25_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,579 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/177_BzBz_T-4p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,581 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/265_PyPy_S2-7p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,583 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/236_MeMe-4p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/107_BzBz_PD32-1p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/267_PyPy_T3-4p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,588 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,590 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,593 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 2025-08-31T10:10:04,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/254_PyPy_S2-4p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/170_BzBz_S-6p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/196_BzH2S-3p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/118_BzBz_PD32-3p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/125_BzBz_PD34-1p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/111_BzBz_PD32-1p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/240_MeMe-4p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,615 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 2025-08-31T10:10:04,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/213_BzMe-3p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,620 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 2025-08-31T10:10:04,622 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/166_BzBz_S-4p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,624 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/152_BzBz_PD36-2p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,626 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 2025-08-31T10:10:04,628 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 2025-08-31T10:10:04,630 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 2025-08-31T10:10:04,632 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/189_BzBz_T-8p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,634 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/174_BzBz_T-4p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/138_BzBz_PD36-0p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/128_BzBz_PD34-1p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/231_MeMe-3p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/163_BzBz_S-4p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/134_BzBz_PD34-2p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/146_BzBz_PD36-1p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/165_BzBz_S-4p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,648 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 2025-08-31T10:10:04,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/185_BzBz_T-6p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,652 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/243_MeMe-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/178_BzBz_T-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/139_BzBz_PD36-0p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,659 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 2025-08-31T10:10:04,661 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/150_BzBz_PD36-2p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,663 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 2025-08-31T10:10:04,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/154_BzBz_PD36-3p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/104_BzBz_PD32-0p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,672 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/116_BzBz_PD32-2p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/242_MeMe-4p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,675 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/197_BzH2S-4p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/186_BzBz_T-6p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,679 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/124_BzBz_PD34-1p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,681 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/181_BzBz_T-5p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,683 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 2025-08-31T10:10:04,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,686 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/239_MeMe-4p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,688 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/160_BzBz_S-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/232_MeMe-3p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/208_BzH2S-7p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,696 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 2025-08-31T10:10:04,698 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 2025-08-31T10:10:04,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/284_PyPy_T3-9p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,702 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 2025-08-31T10:10:04,704 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/226_BzMe-5p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/109_BzBz_PD32-1p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,708 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/103_BzBz_PD32-0p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/282_PyPy_T3-7p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/142_BzBz_PD36-1p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/221_BzMe-4p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/147_BzBz_PD36-1p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/207_BzH2S-7p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,722 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 2025-08-31T10:10:04,724 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 2025-08-31T10:10:04,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/145_BzBz_PD36-1p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,728 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/218_BzMe-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/280_PyPy_T3-6p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,734 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/258_PyPy_S2-4p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/115_BzBz_PD32-2p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/153_BzBz_PD36-2p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/261_PyPy_S2-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2025-08-31T10:10:04,745 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,755 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,769 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,771 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,776 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,778 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,780 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,783 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,800 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,802 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,807 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,814 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,826 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,828 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,830 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,832 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,843 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2025-08-31T10:10:04,848 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,853 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,857 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,859 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,861 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,863 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,873 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,885 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,893 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,898 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,907 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,918 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,924 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,929 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,931 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,933 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,935 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,937 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2025-08-31T10:10:04,942 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,945 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,952 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,954 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,959 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,961 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,966 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,980 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,983 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,985 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,994 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:04,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2025-08-31T10:10:05,008 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,010 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,012 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,013 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,015 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,017 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,020 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,022 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,024 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,029 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,031 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,032 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,038 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,041 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,043 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,045 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,050 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,057 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,064 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,069 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,071 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,073 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,076 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,078 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,080 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,085 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,089 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,096 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,098 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,102 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,107 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,132 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,145 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,157 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,165 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,179 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,183 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,214 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,217 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,219 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,223 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,229 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,236 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,238 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,240 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,243 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,247 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,250 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,252 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,254 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,256 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,258 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,259 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,261 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,263 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,266 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,268 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,271 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,273 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,275 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,282 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,296 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,303 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,308 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,318 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,320 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,322 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,324 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,327 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,329 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,423 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,425 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,465 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,486 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,500 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,509 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,511 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,516 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,521 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,523 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,540 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,544 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,546 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,548 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,558 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,577 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,583 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,588 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,590 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,592 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,606 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,614 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,622 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,625 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,633 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,659 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,672 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,675 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,679 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,680 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,691 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,699 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,701 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,704 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,708 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,710 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,716 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,722 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,728 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,734 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,737 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,739 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,744 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,747 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,749 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,751 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,756 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,758 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,761 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,769 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,776 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,778 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,780 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,784 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,804 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,823 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,825 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,833 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,848 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,853 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,857 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,859 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,861 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,866 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,873 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,879 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,886 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,888 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2025-08-31T10:10:05,893 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,901 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,905 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,907 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,910 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,912 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,914 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,921 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,923 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,928 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,932 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,935 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,937 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,944 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,952 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,963 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,965 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,970 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,980 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,982 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,984 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,987 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,989 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,991 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,994 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,996 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,998 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:05,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:06,001 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:06,003 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:06,005 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2025-08-31T10:10:06,008 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,010 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,012 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,015 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,017 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,020 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,022 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,024 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,026 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,029 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,031 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,033 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,035 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,037 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,041 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,045 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,050 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,052 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,054 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2025-08-31T10:10:06,057 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,061 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,068 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,078 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,080 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,085 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,089 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,098 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,100 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,102 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,106 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,111 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,119 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,126 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,134 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2025-08-31T10:10:06,144 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:10:06,145 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:10:06,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:10:06,148 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:10:06,150 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:10:06,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:10:06,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:10:06,155 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:10:06,157 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:10:06,159 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:10:06,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:10:06,162 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2025-08-31T10:10:06,165 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,166 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,168 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,170 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,179 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,190 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,194 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,199 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,207 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,209 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,211 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,213 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,217 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,223 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,225 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,232 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2025-08-31T10:10:06,236 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,243 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,250 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,252 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,259 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,286 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,296 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,307 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,312 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,314 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,318 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,325 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,327 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,332 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,334 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,342 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,344 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,346 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,352 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,354 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,359 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,361 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,363 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,366 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,374 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,391 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,409 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,419 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,426 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,428 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,431 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,455 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,457 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2025-08-31T10:10:06,467 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,468 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,470 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,480 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,482 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,484 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,486 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,491 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,493 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,507 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,509 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,511 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,516 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,519 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,521 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,523 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,540 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,552 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,574 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,579 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,581 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,583 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,588 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,590 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,592 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,599 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,606 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,610 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,614 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,619 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,624 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,626 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,634 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,652 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,654 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,659 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,661 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,675 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,678 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,680 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,695 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,697 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,699 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,701 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,704 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,708 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,722 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,728 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,734 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,737 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,739 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,741 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,744 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,749 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,751 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,756 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,758 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,761 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,773 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,783 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,788 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,790 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,800 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,825 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,830 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,832 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,833 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,840 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,847 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,852 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,854 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,859 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,861 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,863 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,866 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,868 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,873 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,885 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,896 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,898 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,901 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,903 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p5_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,905 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,910 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,924 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,928 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,931 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,933 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p3_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,935 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,937 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,944 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,949 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p1_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p6_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p2_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monA_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,966 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_0p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,973 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p7_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,975 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_2p0_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,979 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monB_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2025-08-31T10:10:06,984 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:06,985 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:06,988 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:06,990 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:06,992 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:06,994 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:06,996 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:06,998 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:06,999 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,001 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,004 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,005 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,007 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,009 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,011 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,013 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,015 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,017 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,019 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,021 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,023 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,026 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,028 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,030 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,032 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,034 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,035 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,037 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,039 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,041 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,043 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,045 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,047 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,049 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,051 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,053 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,055 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,056 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,058 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,060 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,062 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,064 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,068 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,070 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,072 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,075 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,077 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,078 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,080 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,082 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,084 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,087 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,089 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,091 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,093 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,095 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,097 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,099 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,101 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,103 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,105 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,106 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,108 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,111 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,113 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,116 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,117 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,119 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,122 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,124 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,126 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,127 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,129 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,132 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,134 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,136 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,138 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,140 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,142 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2025-08-31T10:10:07,149 running install_egg_info 2025-08-31T10:10:07,156 Copying xcbm.egg-info to build/bdist.linux-armv7l/wheel/./xcbm-0.1.6-py3.11.egg-info 2025-08-31T10:10:07,181 running install_scripts 2025-08-31T10:10:07,190 creating build/bdist.linux-armv7l/wheel/xcbm-0.1.6.dist-info/WHEEL 2025-08-31T10:10:07,194 creating '/tmp/pip-wheel-h25mwdhb/.tmp-4x0_pwkc/xcbm-0.1.6-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2025-08-31T10:10:07,197 adding 'xcbm/GMTKN55.py' 2025-08-31T10:10:07,199 adding 'xcbm/MGCDB84.py' 2025-08-31T10:10:07,202 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ACONF.txt' 2025-08-31T10:10:07,203 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ADIM6.txt' 2025-08-31T10:10:07,204 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt' 2025-08-31T10:10:07,205 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AL2X6.txt' 2025-08-31T10:10:07,206 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALK8.txt' 2025-08-31T10:10:07,208 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt' 2025-08-31T10:10:07,209 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_Amino20x4.txt' 2025-08-31T10:10:07,210 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt' 2025-08-31T10:10:07,211 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt' 2025-08-31T10:10:07,213 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt' 2025-08-31T10:10:07,214 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt' 2025-08-31T10:10:07,215 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt' 2025-08-31T10:10:07,216 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BSR36.txt' 2025-08-31T10:10:07,217 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt' 2025-08-31T10:10:07,219 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_C60ISO.txt' 2025-08-31T10:10:07,220 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CARBHB12.txt' 2025-08-31T10:10:07,221 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CDIE20.txt' 2025-08-31T10:10:07,222 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CHB6.txt' 2025-08-31T10:10:07,223 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DARC.txt' 2025-08-31T10:10:07,224 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DC13.txt' 2025-08-31T10:10:07,225 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt' 2025-08-31T10:10:07,226 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt' 2025-08-31T10:10:07,227 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt' 2025-08-31T10:10:07,228 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt' 2025-08-31T10:10:07,230 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt' 2025-08-31T10:10:07,231 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt' 2025-08-31T10:10:07,232 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt' 2025-08-31T10:10:07,233 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVYSB11.txt' 2025-08-31T10:10:07,234 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt' 2025-08-31T10:10:07,236 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IDISP.txt' 2025-08-31T10:10:07,237 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt' 2025-08-31T10:10:07,238 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt' 2025-08-31T10:10:07,239 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt' 2025-08-31T10:10:07,240 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISOL24.txt' 2025-08-31T10:10:07,241 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt' 2025-08-31T10:10:07,242 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MCONF.txt' 2025-08-31T10:10:07,243 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_NBPRC.txt' 2025-08-31T10:10:07,245 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt' 2025-08-31T10:10:07,246 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PArel.txt' 2025-08-31T10:10:07,247 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PCONF21.txt' 2025-08-31T10:10:07,248 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt' 2025-08-31T10:10:07,249 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt' 2025-08-31T10:10:07,250 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RC21.txt' 2025-08-31T10:10:07,251 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt' 2025-08-31T10:10:07,253 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt' 2025-08-31T10:10:07,254 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S22.txt' 2025-08-31T10:10:07,255 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt' 2025-08-31T10:10:07,256 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SCONF.txt' 2025-08-31T10:10:07,257 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt' 2025-08-31T10:10:07,258 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SLIM05.txt' 2025-08-31T10:10:07,260 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt' 2025-08-31T10:10:07,261 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_UPU23.txt' 2025-08-31T10:10:07,262 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt' 2025-08-31T10:10:07,263 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt' 2025-08-31T10:10:07,264 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt' 2025-08-31T10:10:07,265 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt' 2025-08-31T10:10:07,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt' 2025-08-31T10:10:07,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt' 2025-08-31T10:10:07,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt' 2025-08-31T10:10:07,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt' 2025-08-31T10:10:07,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt' 2025-08-31T10:10:07,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CHB6.txt' 2025-08-31T10:10:07,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt' 2025-08-31T10:10:07,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt' 2025-08-31T10:10:07,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt' 2025-08-31T10:10:07,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt' 2025-08-31T10:10:07,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt' 2025-08-31T10:10:07,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt' 2025-08-31T10:10:07,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVYSB11.txt' 2025-08-31T10:10:07,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt' 2025-08-31T10:10:07,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt' 2025-08-31T10:10:07,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt' 2025-08-31T10:10:07,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt' 2025-08-31T10:10:07,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt' 2025-08-31T10:10:07,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt' 2025-08-31T10:10:07,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt' 2025-08-31T10:10:07,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt' 2025-08-31T10:10:07,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt' 2025-08-31T10:10:07,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt' 2025-08-31T10:10:07,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt' 2025-08-31T10:10:07,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76.txt' 2025-08-31T10:10:07,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt' 2025-08-31T10:10:07,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt' 2025-08-31T10:10:07,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt' 2025-08-31T10:10:07,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt' 2025-08-31T10:10:07,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt' 2025-08-31T10:10:07,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt' 2025-08-31T10:10:07,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt' 2025-08-31T10:10:07,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt' 2025-08-31T10:10:07,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt' 2025-08-31T10:10:07,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt' 2025-08-31T10:10:07,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_INV24.txt' 2025-08-31T10:10:07,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_PA26.txt' 2025-08-31T10:10:07,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RG18.txt' 2025-08-31T10:10:07,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt' 2025-08-31T10:10:07,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt' 2025-08-31T10:10:07,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt' 2025-08-31T10:10:07,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt' 2025-08-31T10:10:07,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt' 2025-08-31T10:10:07,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt' 2025-08-31T10:10:07,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G/struc.xyz' 2025-08-31T10:10:07,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T/struc.xyz' 2025-08-31T10:10:07,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g-/struc.xyz' 2025-08-31T10:10:07,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g-/struc.xyz' 2025-08-31T10:10:07,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+/struc.xyz' 2025-08-31T10:10:07,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg/struc.xyz' 2025-08-31T10:10:07,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg/struc.xyz' 2025-08-31T10:10:07,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt/struc.xyz' 2025-08-31T10:10:07,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x-/struc.xyz' 2025-08-31T10:10:07,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg/struc.xyz' 2025-08-31T10:10:07,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt/struc.xyz' 2025-08-31T10:10:07,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt/struc.xyz' 2025-08-31T10:10:07,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g-/struc.xyz' 2025-08-31T10:10:07,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+/struc.xyz' 2025-08-31T10:10:07,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG/struc.xyz' 2025-08-31T10:10:07,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX/struc.xyz' 2025-08-31T10:10:07,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG/struc.xyz' 2025-08-31T10:10:07,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT/struc.xyz' 2025-08-31T10:10:07,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2/struc.xyz' 2025-08-31T10:10:07,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3/struc.xyz' 2025-08-31T10:10:07,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4/struc.xyz' 2025-08-31T10:10:07,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5/struc.xyz' 2025-08-31T10:10:07,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6/struc.xyz' 2025-08-31T10:10:07,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7/struc.xyz' 2025-08-31T10:10:07,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2/struc.xyz' 2025-08-31T10:10:07,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3/struc.xyz' 2025-08-31T10:10:07,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4/struc.xyz' 2025-08-31T10:10:07,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5/struc.xyz' 2025-08-31T10:10:07,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6/struc.xyz' 2025-08-31T10:10:07,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7/struc.xyz' 2025-08-31T10:10:07,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1/struc.xyz' 2025-08-31T10:10:07,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10/struc.xyz' 2025-08-31T10:10:07,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A/struc.xyz' 2025-08-31T10:10:07,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B/struc.xyz' 2025-08-31T10:10:07,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11/struc.xyz' 2025-08-31T10:10:07,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A/struc.xyz' 2025-08-31T10:10:07,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B/struc.xyz' 2025-08-31T10:10:07,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12/struc.xyz' 2025-08-31T10:10:07,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A/struc.xyz' 2025-08-31T10:10:07,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B/struc.xyz' 2025-08-31T10:10:07,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13/struc.xyz' 2025-08-31T10:10:07,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A/struc.xyz' 2025-08-31T10:10:07,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B/struc.xyz' 2025-08-31T10:10:07,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14/struc.xyz' 2025-08-31T10:10:07,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A/struc.xyz' 2025-08-31T10:10:07,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B/struc.xyz' 2025-08-31T10:10:07,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15/struc.xyz' 2025-08-31T10:10:07,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A/struc.xyz' 2025-08-31T10:10:07,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B/struc.xyz' 2025-08-31T10:10:07,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16/struc.xyz' 2025-08-31T10:10:07,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A/struc.xyz' 2025-08-31T10:10:07,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B/struc.xyz' 2025-08-31T10:10:07,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17/struc.xyz' 2025-08-31T10:10:07,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A/struc.xyz' 2025-08-31T10:10:07,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B/struc.xyz' 2025-08-31T10:10:07,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18/struc.xyz' 2025-08-31T10:10:07,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A/struc.xyz' 2025-08-31T10:10:07,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B/struc.xyz' 2025-08-31T10:10:07,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19/struc.xyz' 2025-08-31T10:10:07,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A/struc.xyz' 2025-08-31T10:10:07,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B/struc.xyz' 2025-08-31T10:10:07,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A/struc.xyz' 2025-08-31T10:10:07,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B/struc.xyz' 2025-08-31T10:10:07,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2/struc.xyz' 2025-08-31T10:10:07,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20/struc.xyz' 2025-08-31T10:10:07,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A/struc.xyz' 2025-08-31T10:10:07,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B/struc.xyz' 2025-08-31T10:10:07,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21/struc.xyz' 2025-08-31T10:10:07,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A/struc.xyz' 2025-08-31T10:10:07,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B/struc.xyz' 2025-08-31T10:10:07,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A/struc.xyz' 2025-08-31T10:10:07,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B/struc.xyz' 2025-08-31T10:10:07,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3/struc.xyz' 2025-08-31T10:10:07,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A/struc.xyz' 2025-08-31T10:10:07,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B/struc.xyz' 2025-08-31T10:10:07,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4/struc.xyz' 2025-08-31T10:10:07,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A/struc.xyz' 2025-08-31T10:10:07,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B/struc.xyz' 2025-08-31T10:10:07,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5/struc.xyz' 2025-08-31T10:10:07,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A/struc.xyz' 2025-08-31T10:10:07,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B/struc.xyz' 2025-08-31T10:10:07,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6/struc.xyz' 2025-08-31T10:10:07,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A/struc.xyz' 2025-08-31T10:10:07,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B/struc.xyz' 2025-08-31T10:10:07,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7/struc.xyz' 2025-08-31T10:10:07,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A/struc.xyz' 2025-08-31T10:10:07,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B/struc.xyz' 2025-08-31T10:10:07,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8/struc.xyz' 2025-08-31T10:10:07,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A/struc.xyz' 2025-08-31T10:10:07,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B/struc.xyz' 2025-08-31T10:10:07,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9/struc.xyz' 2025-08-31T10:10:07,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A/struc.xyz' 2025-08-31T10:10:07,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B/struc.xyz' 2025-08-31T10:10:07,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6/struc.xyz' 2025-08-31T10:10:07,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6/struc.xyz' 2025-08-31T10:10:07,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6/struc.xyz' 2025-08-31T10:10:07,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4/struc.xyz' 2025-08-31T10:10:07,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5/struc.xyz' 2025-08-31T10:10:07,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6/struc.xyz' 2025-08-31T10:10:07,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3/struc.xyz' 2025-08-31T10:10:07,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3/struc.xyz' 2025-08-31T10:10:07,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3/struc.xyz' 2025-08-31T10:10:07,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2/struc.xyz' 2025-08-31T10:10:07,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3/struc.xyz' 2025-08-31T10:10:07,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+/struc.xyz' 2025-08-31T10:10:07,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2/struc.xyz' 2025-08-31T10:10:07,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz' 2025-08-31T10:10:07,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4/struc.xyz' 2025-08-31T10:10:07,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me/struc.xyz' 2025-08-31T10:10:07,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c/struc.xyz' 2025-08-31T10:10:07,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4/struc.xyz' 2025-08-31T10:10:07,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch/struc.xyz' 2025-08-31T10:10:07,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8/struc.xyz' 2025-08-31T10:10:07,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n/struc.xyz' 2025-08-31T10:10:07,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h/struc.xyz' 2025-08-31T10:10:07,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me/struc.xyz' 2025-08-31T10:10:07,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2/struc.xyz' 2025-08-31T10:10:07,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+/struc.xyz' 2025-08-31T10:10:07,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2/struc.xyz' 2025-08-31T10:10:07,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2/struc.xyz' 2025-08-31T10:10:07,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8/struc.xyz' 2025-08-31T10:10:07,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be/struc.xyz' 2025-08-31T10:10:07,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef/struc.xyz' 2025-08-31T10:10:07,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo/struc.xyz' 2025-08-31T10:10:07,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca/struc.xyz' 2025-08-31T10:10:07,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao/struc.xyz' 2025-08-31T10:10:07,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f/struc.xyz' 2025-08-31T10:10:07,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h/struc.xyz' 2025-08-31T10:10:07,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf/struc.xyz' 2025-08-31T10:10:07,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k/struc.xyz' 2025-08-31T10:10:07,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf/struc.xyz' 2025-08-31T10:10:07,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li/struc.xyz' 2025-08-31T10:10:07,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif/struc.xyz' 2025-08-31T10:10:07,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio/struc.xyz' 2025-08-31T10:10:07,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg/struc.xyz' 2025-08-31T10:10:07,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo/struc.xyz' 2025-08-31T10:10:07,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs/struc.xyz' 2025-08-31T10:10:07,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na/struc.xyz' 2025-08-31T10:10:07,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao/struc.xyz' 2025-08-31T10:10:07,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o/struc.xyz' 2025-08-31T10:10:07,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s/struc.xyz' 2025-08-31T10:10:07,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab/struc.xyz' 2025-08-31T10:10:07,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac/struc.xyz' 2025-08-31T10:10:07,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag/struc.xyz' 2025-08-31T10:10:07,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai/struc.xyz' 2025-08-31T10:10:07,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak/struc.xyz' 2025-08-31T10:10:07,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak/struc.xyz' 2025-08-31T10:10:07,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz' 2025-08-31T10:10:07,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz' 2025-08-31T10:10:07,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby/struc.xyz' 2025-08-31T10:10:07,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci/struc.xyz' 2025-08-31T10:10:07,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab/struc.xyz' 2025-08-31T10:10:07,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae/struc.xyz' 2025-08-31T10:10:07,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz' 2025-08-31T10:10:07,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah/struc.xyz' 2025-08-31T10:10:07,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz' 2025-08-31T10:10:07,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad/struc.xyz' 2025-08-31T10:10:07,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau/struc.xyz' 2025-08-31T10:10:07,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay/struc.xyz' 2025-08-31T10:10:07,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz' 2025-08-31T10:10:07,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz' 2025-08-31T10:10:07,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag/struc.xyz' 2025-08-31T10:10:07,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah/struc.xyz' 2025-08-31T10:10:07,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai/struc.xyz' 2025-08-31T10:10:07,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal/struc.xyz' 2025-08-31T10:10:07,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao/struc.xyz' 2025-08-31T10:10:07,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai/struc.xyz' 2025-08-31T10:10:07,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal/struc.xyz' 2025-08-31T10:10:07,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan/struc.xyz' 2025-08-31T10:10:07,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap/struc.xyz' 2025-08-31T10:10:07,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat/struc.xyz' 2025-08-31T10:10:07,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad/struc.xyz' 2025-08-31T10:10:07,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal/struc.xyz' 2025-08-31T10:10:07,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar/struc.xyz' 2025-08-31T10:10:07,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav/struc.xyz' 2025-08-31T10:10:07,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz' 2025-08-31T10:10:07,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab/struc.xyz' 2025-08-31T10:10:07,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac/struc.xyz' 2025-08-31T10:10:07,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad/struc.xyz' 2025-08-31T10:10:07,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae/struc.xyz' 2025-08-31T10:10:07,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag/struc.xyz' 2025-08-31T10:10:07,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah/struc.xyz' 2025-08-31T10:10:07,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam/struc.xyz' 2025-08-31T10:10:07,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz' 2025-08-31T10:10:07,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau/struc.xyz' 2025-08-31T10:10:07,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav/struc.xyz' 2025-08-31T10:10:07,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae/struc.xyz' 2025-08-31T10:10:07,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag/struc.xyz' 2025-08-31T10:10:07,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz' 2025-08-31T10:10:07,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak/struc.xyz' 2025-08-31T10:10:07,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz' 2025-08-31T10:10:07,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad/struc.xyz' 2025-08-31T10:10:07,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae/struc.xyz' 2025-08-31T10:10:07,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap/struc.xyz' 2025-08-31T10:10:07,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz' 2025-08-31T10:10:07,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz' 2025-08-31T10:10:07,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan/struc.xyz' 2025-08-31T10:10:07,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao/struc.xyz' 2025-08-31T10:10:07,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap/struc.xyz' 2025-08-31T10:10:07,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas/struc.xyz' 2025-08-31T10:10:07,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat/struc.xyz' 2025-08-31T10:10:07,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag/struc.xyz' 2025-08-31T10:10:07,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav/struc.xyz' 2025-08-31T10:10:07,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf/struc.xyz' 2025-08-31T10:10:07,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm/struc.xyz' 2025-08-31T10:10:07,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo/struc.xyz' 2025-08-31T10:10:07,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab/struc.xyz' 2025-08-31T10:10:07,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal/struc.xyz' 2025-08-31T10:10:07,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan/struc.xyz' 2025-08-31T10:10:07,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar/struc.xyz' 2025-08-31T10:10:07,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz' 2025-08-31T10:10:07,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab/struc.xyz' 2025-08-31T10:10:07,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac/struc.xyz' 2025-08-31T10:10:07,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad/struc.xyz' 2025-08-31T10:10:07,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae/struc.xyz' 2025-08-31T10:10:07,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz' 2025-08-31T10:10:07,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad/struc.xyz' 2025-08-31T10:10:07,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf/struc.xyz' 2025-08-31T10:10:07,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah/struc.xyz' 2025-08-31T10:10:07,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak/struc.xyz' 2025-08-31T10:10:07,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar/struc.xyz' 2025-08-31T10:10:07,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab/struc.xyz' 2025-08-31T10:10:07,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag/struc.xyz' 2025-08-31T10:10:07,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah/struc.xyz' 2025-08-31T10:10:07,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal/struc.xyz' 2025-08-31T10:10:07,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq/struc.xyz' 2025-08-31T10:10:07,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac/struc.xyz' 2025-08-31T10:10:07,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz' 2025-08-31T10:10:07,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag/struc.xyz' 2025-08-31T10:10:07,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah/struc.xyz' 2025-08-31T10:10:07,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao/struc.xyz' 2025-08-31T10:10:07,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab/struc.xyz' 2025-08-31T10:10:07,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag/struc.xyz' 2025-08-31T10:10:07,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah/struc.xyz' 2025-08-31T10:10:07,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan/struc.xyz' 2025-08-31T10:10:07,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar/struc.xyz' 2025-08-31T10:10:07,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad/struc.xyz' 2025-08-31T10:10:07,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz' 2025-08-31T10:10:07,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah/struc.xyz' 2025-08-31T10:10:07,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz' 2025-08-31T10:10:07,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak/struc.xyz' 2025-08-31T10:10:07,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5/struc.xyz' 2025-08-31T10:10:07,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6/struc.xyz' 2025-08-31T10:10:07,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8/struc.xyz' 2025-08-31T10:10:07,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH/struc.xyz' 2025-08-31T10:10:07,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4/struc.xyz' 2025-08-31T10:10:07,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2/struc.xyz' 2025-08-31T10:10:07,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O/struc.xyz' 2025-08-31T10:10:07,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S/struc.xyz' 2025-08-31T10:10:07,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS/struc.xyz' 2025-08-31T10:10:07,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H/struc.xyz' 2025-08-31T10:10:07,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2/struc.xyz' 2025-08-31T10:10:07,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH/struc.xyz' 2025-08-31T10:10:07,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2/struc.xyz' 2025-08-31T10:10:07,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3/struc.xyz' 2025-08-31T10:10:07,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O/struc.xyz' 2025-08-31T10:10:07,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2/struc.xyz' 2025-08-31T10:10:07,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3/struc.xyz' 2025-08-31T10:10:07,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01/struc.xyz' 2025-08-31T10:10:07,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02/struc.xyz' 2025-08-31T10:10:07,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03/struc.xyz' 2025-08-31T10:10:07,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04/struc.xyz' 2025-08-31T10:10:07,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05/struc.xyz' 2025-08-31T10:10:07,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06/struc.xyz' 2025-08-31T10:10:07,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07/struc.xyz' 2025-08-31T10:10:07,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08/struc.xyz' 2025-08-31T10:10:07,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09/struc.xyz' 2025-08-31T10:10:07,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10/struc.xyz' 2025-08-31T10:10:07,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11/struc.xyz' 2025-08-31T10:10:07,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12/struc.xyz' 2025-08-31T10:10:07,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13/struc.xyz' 2025-08-31T10:10:07,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14/struc.xyz' 2025-08-31T10:10:07,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15/struc.xyz' 2025-08-31T10:10:07,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16/struc.xyz' 2025-08-31T10:10:07,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17/struc.xyz' 2025-08-31T10:10:07,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18/struc.xyz' 2025-08-31T10:10:07,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19/struc.xyz' 2025-08-31T10:10:07,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20/struc.xyz' 2025-08-31T10:10:07,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21/struc.xyz' 2025-08-31T10:10:07,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22/struc.xyz' 2025-08-31T10:10:07,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4/struc.xyz' 2025-08-31T10:10:07,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5/struc.xyz' 2025-08-31T10:10:07,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts/struc.xyz' 2025-08-31T10:10:07,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7/struc.xyz' 2025-08-31T10:10:07,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts/struc.xyz' 2025-08-31T10:10:07,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3/struc.xyz' 2025-08-31T10:10:07,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl/struc.xyz' 2025-08-31T10:10:07,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f/struc.xyz' 2025-08-31T10:10:07,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts/struc.xyz' 2025-08-31T10:10:07,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh/struc.xyz' 2025-08-31T10:10:07,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl/struc.xyz' 2025-08-31T10:10:07,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-/struc.xyz' 2025-08-31T10:10:07,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp/struc.xyz' 2025-08-31T10:10:07,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts/struc.xyz' 2025-08-31T10:10:07,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf/struc.xyz' 2025-08-31T10:10:07,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co/struc.xyz' 2025-08-31T10:10:07,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f/struc.xyz' 2025-08-31T10:10:07,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-/struc.xyz' 2025-08-31T10:10:07,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2/struc.xyz' 2025-08-31T10:10:07,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1/struc.xyz' 2025-08-31T10:10:07,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2/struc.xyz' 2025-08-31T10:10:07,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts/struc.xyz' 2025-08-31T10:10:07,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp/struc.xyz' 2025-08-31T10:10:07,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts/struc.xyz' 2025-08-31T10:10:07,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h/struc.xyz' 2025-08-31T10:10:07,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts/struc.xyz' 2025-08-31T10:10:07,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl/struc.xyz' 2025-08-31T10:10:07,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts/struc.xyz' 2025-08-31T10:10:07,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn/struc.xyz' 2025-08-31T10:10:07,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts/struc.xyz' 2025-08-31T10:10:07,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco/struc.xyz' 2025-08-31T10:10:07,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots/struc.xyz' 2025-08-31T10:10:07,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf/struc.xyz' 2025-08-31T10:10:07,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts/struc.xyz' 2025-08-31T10:10:07,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts/struc.xyz' 2025-08-31T10:10:07,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts/struc.xyz' 2025-08-31T10:10:07,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2/struc.xyz' 2025-08-31T10:10:07,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts/struc.xyz' 2025-08-31T10:10:07,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc/struc.xyz' 2025-08-31T10:10:07,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1/struc.xyz' 2025-08-31T10:10:07,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2/struc.xyz' 2025-08-31T10:10:07,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts/struc.xyz' 2025-08-31T10:10:07,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2/struc.xyz' 2025-08-31T10:10:07,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o/struc.xyz' 2025-08-31T10:10:07,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts/struc.xyz' 2025-08-31T10:10:07,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh/struc.xyz' 2025-08-31T10:10:07,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-/struc.xyz' 2025-08-31T10:10:07,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5/struc.xyz' 2025-08-31T10:10:07,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6/struc.xyz' 2025-08-31T10:10:07,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8/struc.xyz' 2025-08-31T10:10:07,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH/struc.xyz' 2025-08-31T10:10:07,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4/struc.xyz' 2025-08-31T10:10:07,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2/struc.xyz' 2025-08-31T10:10:07,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O/struc.xyz' 2025-08-31T10:10:07,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S/struc.xyz' 2025-08-31T10:10:07,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS/struc.xyz' 2025-08-31T10:10:07,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H/struc.xyz' 2025-08-31T10:10:07,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2/struc.xyz' 2025-08-31T10:10:07,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH/struc.xyz' 2025-08-31T10:10:07,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2/struc.xyz' 2025-08-31T10:10:07,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3/struc.xyz' 2025-08-31T10:10:07,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O/struc.xyz' 2025-08-31T10:10:07,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2/struc.xyz' 2025-08-31T10:10:07,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3/struc.xyz' 2025-08-31T10:10:07,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01/struc.xyz' 2025-08-31T10:10:07,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02/struc.xyz' 2025-08-31T10:10:07,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03/struc.xyz' 2025-08-31T10:10:07,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04/struc.xyz' 2025-08-31T10:10:07,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05/struc.xyz' 2025-08-31T10:10:07,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06/struc.xyz' 2025-08-31T10:10:07,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07/struc.xyz' 2025-08-31T10:10:07,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08/struc.xyz' 2025-08-31T10:10:07,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09/struc.xyz' 2025-08-31T10:10:07,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10/struc.xyz' 2025-08-31T10:10:07,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11/struc.xyz' 2025-08-31T10:10:07,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12/struc.xyz' 2025-08-31T10:10:07,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13/struc.xyz' 2025-08-31T10:10:07,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14/struc.xyz' 2025-08-31T10:10:07,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15/struc.xyz' 2025-08-31T10:10:07,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16/struc.xyz' 2025-08-31T10:10:07,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17/struc.xyz' 2025-08-31T10:10:07,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18/struc.xyz' 2025-08-31T10:10:07,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19/struc.xyz' 2025-08-31T10:10:07,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20/struc.xyz' 2025-08-31T10:10:07,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21/struc.xyz' 2025-08-31T10:10:07,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22/struc.xyz' 2025-08-31T10:10:07,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4/struc.xyz' 2025-08-31T10:10:07,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5/struc.xyz' 2025-08-31T10:10:07,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts/struc.xyz' 2025-08-31T10:10:07,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7/struc.xyz' 2025-08-31T10:10:07,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts/struc.xyz' 2025-08-31T10:10:07,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3/struc.xyz' 2025-08-31T10:10:07,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl/struc.xyz' 2025-08-31T10:10:07,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f/struc.xyz' 2025-08-31T10:10:07,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts/struc.xyz' 2025-08-31T10:10:07,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh/struc.xyz' 2025-08-31T10:10:07,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl/struc.xyz' 2025-08-31T10:10:07,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-/struc.xyz' 2025-08-31T10:10:07,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp/struc.xyz' 2025-08-31T10:10:07,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts/struc.xyz' 2025-08-31T10:10:07,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf/struc.xyz' 2025-08-31T10:10:07,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co/struc.xyz' 2025-08-31T10:10:07,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f/struc.xyz' 2025-08-31T10:10:07,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-/struc.xyz' 2025-08-31T10:10:07,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2/struc.xyz' 2025-08-31T10:10:07,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz' 2025-08-31T10:10:07,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz' 2025-08-31T10:10:07,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts/struc.xyz' 2025-08-31T10:10:07,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp/struc.xyz' 2025-08-31T10:10:07,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts/struc.xyz' 2025-08-31T10:10:07,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h/struc.xyz' 2025-08-31T10:10:07,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts/struc.xyz' 2025-08-31T10:10:07,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl/struc.xyz' 2025-08-31T10:10:07,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts/struc.xyz' 2025-08-31T10:10:07,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn/struc.xyz' 2025-08-31T10:10:07,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts/struc.xyz' 2025-08-31T10:10:07,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco/struc.xyz' 2025-08-31T10:10:07,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots/struc.xyz' 2025-08-31T10:10:07,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf/struc.xyz' 2025-08-31T10:10:07,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts/struc.xyz' 2025-08-31T10:10:07,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts/struc.xyz' 2025-08-31T10:10:07,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts/struc.xyz' 2025-08-31T10:10:07,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2/struc.xyz' 2025-08-31T10:10:07,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts/struc.xyz' 2025-08-31T10:10:07,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc/struc.xyz' 2025-08-31T10:10:07,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz' 2025-08-31T10:10:07,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz' 2025-08-31T10:10:07,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts/struc.xyz' 2025-08-31T10:10:07,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2/struc.xyz' 2025-08-31T10:10:07,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o/struc.xyz' 2025-08-31T10:10:07,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts/struc.xyz' 2025-08-31T10:10:07,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh/struc.xyz' 2025-08-31T10:10:07,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-/struc.xyz' 2025-08-31T10:10:07,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1/struc.xyz' 2025-08-31T10:10:07,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10/struc.xyz' 2025-08-31T10:10:07,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2/struc.xyz' 2025-08-31T10:10:07,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3/struc.xyz' 2025-08-31T10:10:07,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4/struc.xyz' 2025-08-31T10:10:07,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5/struc.xyz' 2025-08-31T10:10:07,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6/struc.xyz' 2025-08-31T10:10:08,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7/struc.xyz' 2025-08-31T10:10:08,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8/struc.xyz' 2025-08-31T10:10:08,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9/struc.xyz' 2025-08-31T10:10:08,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1/struc.xyz' 2025-08-31T10:10:08,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10/struc.xyz' 2025-08-31T10:10:08,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2/struc.xyz' 2025-08-31T10:10:08,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3/struc.xyz' 2025-08-31T10:10:08,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4/struc.xyz' 2025-08-31T10:10:08,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5/struc.xyz' 2025-08-31T10:10:08,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6/struc.xyz' 2025-08-31T10:10:08,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7/struc.xyz' 2025-08-31T10:10:08,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8/struc.xyz' 2025-08-31T10:10:08,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9/struc.xyz' 2025-08-31T10:10:08,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r/struc.xyz' 2025-08-31T10:10:08,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r/struc.xyz' 2025-08-31T10:10:08,024 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts/struc.xyz' 2025-08-31T10:10:08,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r/struc.xyz' 2025-08-31T10:10:08,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts/struc.xyz' 2025-08-31T10:10:08,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r/struc.xyz' 2025-08-31T10:10:08,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts/struc.xyz' 2025-08-31T10:10:08,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r/struc.xyz' 2025-08-31T10:10:08,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts/struc.xyz' 2025-08-31T10:10:08,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r/struc.xyz' 2025-08-31T10:10:08,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts/struc.xyz' 2025-08-31T10:10:08,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts/struc.xyz' 2025-08-31T10:10:08,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r/struc.xyz' 2025-08-31T10:10:08,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts/struc.xyz' 2025-08-31T10:10:08,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts/struc.xyz' 2025-08-31T10:10:08,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r/struc.xyz' 2025-08-31T10:10:08,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts/struc.xyz' 2025-08-31T10:10:08,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz' 2025-08-31T10:10:08,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz' 2025-08-31T10:10:08,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz' 2025-08-31T10:10:08,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz' 2025-08-31T10:10:08,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz' 2025-08-31T10:10:08,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4/struc.xyz' 2025-08-31T10:10:08,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1/struc.xyz' 2025-08-31T10:10:08,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2/struc.xyz' 2025-08-31T10:10:08,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3/struc.xyz' 2025-08-31T10:10:08,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4/struc.xyz' 2025-08-31T10:10:08,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5/struc.xyz' 2025-08-31T10:10:08,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6/struc.xyz' 2025-08-31T10:10:08,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7/struc.xyz' 2025-08-31T10:10:08,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8/struc.xyz' 2025-08-31T10:10:08,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9/struc.xyz' 2025-08-31T10:10:08,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a/struc.xyz' 2025-08-31T10:10:08,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a/struc.xyz' 2025-08-31T10:10:08,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a/struc.xyz' 2025-08-31T10:10:08,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a/struc.xyz' 2025-08-31T10:10:08,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a/struc.xyz' 2025-08-31T10:10:08,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a/struc.xyz' 2025-08-31T10:10:08,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a/struc.xyz' 2025-08-31T10:10:08,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a/struc.xyz' 2025-08-31T10:10:08,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a/struc.xyz' 2025-08-31T10:10:08,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz' 2025-08-31T10:10:08,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz' 2025-08-31T10:10:08,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene/struc.xyz' 2025-08-31T10:10:08,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene/struc.xyz' 2025-08-31T10:10:08,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz' 2025-08-31T10:10:08,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene/struc.xyz' 2025-08-31T10:10:08,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene/struc.xyz' 2025-08-31T10:10:08,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1/struc.xyz' 2025-08-31T10:10:08,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10/struc.xyz' 2025-08-31T10:10:08,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11/struc.xyz' 2025-08-31T10:10:08,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2/struc.xyz' 2025-08-31T10:10:08,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3/struc.xyz' 2025-08-31T10:10:08,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4/struc.xyz' 2025-08-31T10:10:08,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5/struc.xyz' 2025-08-31T10:10:08,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6/struc.xyz' 2025-08-31T10:10:08,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7/struc.xyz' 2025-08-31T10:10:08,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8/struc.xyz' 2025-08-31T10:10:08,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9/struc.xyz' 2025-08-31T10:10:08,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz' 2025-08-31T10:10:08,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz' 2025-08-31T10:10:08,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC/struc.xyz' 2025-08-31T10:10:08,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz' 2025-08-31T10:10:08,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz' 2025-08-31T10:10:08,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS/struc.xyz' 2025-08-31T10:10:08,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti/struc.xyz' 2025-08-31T10:10:08,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn/struc.xyz' 2025-08-31T10:10:08,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl/struc.xyz' 2025-08-31T10:10:08,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz' 2025-08-31T10:10:08,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz' 2025-08-31T10:10:08,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz' 2025-08-31T10:10:08,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz' 2025-08-31T10:10:08,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS/struc.xyz' 2025-08-31T10:10:08,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis/struc.xyz' 2025-08-31T10:10:08,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans/struc.xyz' 2025-08-31T10:10:08,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl/struc.xyz' 2025-08-31T10:10:08,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st/struc.xyz' 2025-08-31T10:10:08,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz' 2025-08-31T10:10:08,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz' 2025-08-31T10:10:08,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz' 2025-08-31T10:10:08,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz' 2025-08-31T10:10:08,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2/struc.xyz' 2025-08-31T10:10:08,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis/struc.xyz' 2025-08-31T10:10:08,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans/struc.xyz' 2025-08-31T10:10:08,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2/struc.xyz' 2025-08-31T10:10:08,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis/struc.xyz' 2025-08-31T10:10:08,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans/struc.xyz' 2025-08-31T10:10:08,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl/struc.xyz' 2025-08-31T10:10:08,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st/struc.xyz' 2025-08-31T10:10:08,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz' 2025-08-31T10:10:08,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st/struc.xyz' 2025-08-31T10:10:08,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz' 2025-08-31T10:10:08,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz' 2025-08-31T10:10:08,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1/struc.xyz' 2025-08-31T10:10:08,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz' 2025-08-31T10:10:08,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz' 2025-08-31T10:10:08,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz' 2025-08-31T10:10:08,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0/struc.xyz' 2025-08-31T10:10:08,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120/struc.xyz' 2025-08-31T10:10:08,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180/struc.xyz' 2025-08-31T10:10:08,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60/struc.xyz' 2025-08-31T10:10:08,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1/struc.xyz' 2025-08-31T10:10:08,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2/struc.xyz' 2025-08-31T10:10:08,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6/struc.xyz' 2025-08-31T10:10:08,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3/struc.xyz' 2025-08-31T10:10:08,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4/struc.xyz' 2025-08-31T10:10:08,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5/struc.xyz' 2025-08-31T10:10:08,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4/struc.xyz' 2025-08-31T10:10:08,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1/struc.xyz' 2025-08-31T10:10:08,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10/struc.xyz' 2025-08-31T10:10:08,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11/struc.xyz' 2025-08-31T10:10:08,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12/struc.xyz' 2025-08-31T10:10:08,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13/struc.xyz' 2025-08-31T10:10:08,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14/struc.xyz' 2025-08-31T10:10:08,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15/struc.xyz' 2025-08-31T10:10:08,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2/struc.xyz' 2025-08-31T10:10:08,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3/struc.xyz' 2025-08-31T10:10:08,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4/struc.xyz' 2025-08-31T10:10:08,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5/struc.xyz' 2025-08-31T10:10:08,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6/struc.xyz' 2025-08-31T10:10:08,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7/struc.xyz' 2025-08-31T10:10:08,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8/struc.xyz' 2025-08-31T10:10:08,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9/struc.xyz' 2025-08-31T10:10:08,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1/struc.xyz' 2025-08-31T10:10:08,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10/struc.xyz' 2025-08-31T10:10:08,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11/struc.xyz' 2025-08-31T10:10:08,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12/struc.xyz' 2025-08-31T10:10:08,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13/struc.xyz' 2025-08-31T10:10:08,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14/struc.xyz' 2025-08-31T10:10:08,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15/struc.xyz' 2025-08-31T10:10:08,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16/struc.xyz' 2025-08-31T10:10:08,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2/struc.xyz' 2025-08-31T10:10:08,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3/struc.xyz' 2025-08-31T10:10:08,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4/struc.xyz' 2025-08-31T10:10:08,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5/struc.xyz' 2025-08-31T10:10:08,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6/struc.xyz' 2025-08-31T10:10:08,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7/struc.xyz' 2025-08-31T10:10:08,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8/struc.xyz' 2025-08-31T10:10:08,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9/struc.xyz' 2025-08-31T10:10:08,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1/struc.xyz' 2025-08-31T10:10:08,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10/struc.xyz' 2025-08-31T10:10:08,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11/struc.xyz' 2025-08-31T10:10:08,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12/struc.xyz' 2025-08-31T10:10:08,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13/struc.xyz' 2025-08-31T10:10:08,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14/struc.xyz' 2025-08-31T10:10:08,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15/struc.xyz' 2025-08-31T10:10:08,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16/struc.xyz' 2025-08-31T10:10:08,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17/struc.xyz' 2025-08-31T10:10:08,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18/struc.xyz' 2025-08-31T10:10:08,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19/struc.xyz' 2025-08-31T10:10:08,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2/struc.xyz' 2025-08-31T10:10:08,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20/struc.xyz' 2025-08-31T10:10:08,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21/struc.xyz' 2025-08-31T10:10:08,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22/struc.xyz' 2025-08-31T10:10:08,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23/struc.xyz' 2025-08-31T10:10:08,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24/struc.xyz' 2025-08-31T10:10:08,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25/struc.xyz' 2025-08-31T10:10:08,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26/struc.xyz' 2025-08-31T10:10:08,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27/struc.xyz' 2025-08-31T10:10:08,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28/struc.xyz' 2025-08-31T10:10:08,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29/struc.xyz' 2025-08-31T10:10:08,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3/struc.xyz' 2025-08-31T10:10:08,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30/struc.xyz' 2025-08-31T10:10:08,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31/struc.xyz' 2025-08-31T10:10:08,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32/struc.xyz' 2025-08-31T10:10:08,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33/struc.xyz' 2025-08-31T10:10:08,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34/struc.xyz' 2025-08-31T10:10:08,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35/struc.xyz' 2025-08-31T10:10:08,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36/struc.xyz' 2025-08-31T10:10:08,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37/struc.xyz' 2025-08-31T10:10:08,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38/struc.xyz' 2025-08-31T10:10:08,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39/struc.xyz' 2025-08-31T10:10:08,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4/struc.xyz' 2025-08-31T10:10:08,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40/struc.xyz' 2025-08-31T10:10:08,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41/struc.xyz' 2025-08-31T10:10:08,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42/struc.xyz' 2025-08-31T10:10:08,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43/struc.xyz' 2025-08-31T10:10:08,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44/struc.xyz' 2025-08-31T10:10:08,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45/struc.xyz' 2025-08-31T10:10:08,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46/struc.xyz' 2025-08-31T10:10:08,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47/struc.xyz' 2025-08-31T10:10:08,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48/struc.xyz' 2025-08-31T10:10:08,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49/struc.xyz' 2025-08-31T10:10:08,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5/struc.xyz' 2025-08-31T10:10:08,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50/struc.xyz' 2025-08-31T10:10:08,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51/struc.xyz' 2025-08-31T10:10:08,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52/struc.xyz' 2025-08-31T10:10:08,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53/struc.xyz' 2025-08-31T10:10:08,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54/struc.xyz' 2025-08-31T10:10:08,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55/struc.xyz' 2025-08-31T10:10:08,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56/struc.xyz' 2025-08-31T10:10:08,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57/struc.xyz' 2025-08-31T10:10:08,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58/struc.xyz' 2025-08-31T10:10:08,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59/struc.xyz' 2025-08-31T10:10:08,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6/struc.xyz' 2025-08-31T10:10:08,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60/struc.xyz' 2025-08-31T10:10:08,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61/struc.xyz' 2025-08-31T10:10:08,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62/struc.xyz' 2025-08-31T10:10:08,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63/struc.xyz' 2025-08-31T10:10:08,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64/struc.xyz' 2025-08-31T10:10:08,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65/struc.xyz' 2025-08-31T10:10:08,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7/struc.xyz' 2025-08-31T10:10:08,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8/struc.xyz' 2025-08-31T10:10:08,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9/struc.xyz' 2025-08-31T10:10:08,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1/struc.xyz' 2025-08-31T10:10:08,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10/struc.xyz' 2025-08-31T10:10:08,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2/struc.xyz' 2025-08-31T10:10:08,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3/struc.xyz' 2025-08-31T10:10:08,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4/struc.xyz' 2025-08-31T10:10:08,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5/struc.xyz' 2025-08-31T10:10:08,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6/struc.xyz' 2025-08-31T10:10:08,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7/struc.xyz' 2025-08-31T10:10:08,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8/struc.xyz' 2025-08-31T10:10:08,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9/struc.xyz' 2025-08-31T10:10:08,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL/struc.xyz' 2025-08-31T10:10:08,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A/struc.xyz' 2025-08-31T10:10:08,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B/struc.xyz' 2025-08-31T10:10:08,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N/struc.xyz' 2025-08-31T10:10:08,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A/struc.xyz' 2025-08-31T10:10:08,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B/struc.xyz' 2025-08-31T10:10:08,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O/struc.xyz' 2025-08-31T10:10:08,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A/struc.xyz' 2025-08-31T10:10:08,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B/struc.xyz' 2025-08-31T10:10:08,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL/struc.xyz' 2025-08-31T10:10:08,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A/struc.xyz' 2025-08-31T10:10:08,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B/struc.xyz' 2025-08-31T10:10:08,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N/struc.xyz' 2025-08-31T10:10:08,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A/struc.xyz' 2025-08-31T10:10:08,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B/struc.xyz' 2025-08-31T10:10:08,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O/struc.xyz' 2025-08-31T10:10:08,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A/struc.xyz' 2025-08-31T10:10:08,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B/struc.xyz' 2025-08-31T10:10:08,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL/struc.xyz' 2025-08-31T10:10:08,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A/struc.xyz' 2025-08-31T10:10:08,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B/struc.xyz' 2025-08-31T10:10:08,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N/struc.xyz' 2025-08-31T10:10:08,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A/struc.xyz' 2025-08-31T10:10:08,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B/struc.xyz' 2025-08-31T10:10:08,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O/struc.xyz' 2025-08-31T10:10:08,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A/struc.xyz' 2025-08-31T10:10:08,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B/struc.xyz' 2025-08-31T10:10:08,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL/struc.xyz' 2025-08-31T10:10:08,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A/struc.xyz' 2025-08-31T10:10:08,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B/struc.xyz' 2025-08-31T10:10:08,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N/struc.xyz' 2025-08-31T10:10:08,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A/struc.xyz' 2025-08-31T10:10:08,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B/struc.xyz' 2025-08-31T10:10:08,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O/struc.xyz' 2025-08-31T10:10:08,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A/struc.xyz' 2025-08-31T10:10:08,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B/struc.xyz' 2025-08-31T10:10:08,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20/struc.xyz' 2025-08-31T10:10:08,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22/struc.xyz' 2025-08-31T10:10:08,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25/struc.xyz' 2025-08-31T10:10:08,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26/struc.xyz' 2025-08-31T10:10:08,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40/struc.xyz' 2025-08-31T10:10:08,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43/struc.xyz' 2025-08-31T10:10:08,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44/struc.xyz' 2025-08-31T10:10:08,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45/struc.xyz' 2025-08-31T10:10:08,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46/struc.xyz' 2025-08-31T10:10:08,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47/struc.xyz' 2025-08-31T10:10:08,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48/struc.xyz' 2025-08-31T10:10:08,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49/struc.xyz' 2025-08-31T10:10:08,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51/struc.xyz' 2025-08-31T10:10:08,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52/struc.xyz' 2025-08-31T10:10:08,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56/struc.xyz' 2025-08-31T10:10:08,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60/struc.xyz' 2025-08-31T10:10:08,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20/struc.xyz' 2025-08-31T10:10:08,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21/struc.xyz' 2025-08-31T10:10:08,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22/struc.xyz' 2025-08-31T10:10:08,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25/struc.xyz' 2025-08-31T10:10:08,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26/struc.xyz' 2025-08-31T10:10:08,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28/struc.xyz' 2025-08-31T10:10:08,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29/struc.xyz' 2025-08-31T10:10:08,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40/struc.xyz' 2025-08-31T10:10:08,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43/struc.xyz' 2025-08-31T10:10:08,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44/struc.xyz' 2025-08-31T10:10:08,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45/struc.xyz' 2025-08-31T10:10:08,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46/struc.xyz' 2025-08-31T10:10:08,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47/struc.xyz' 2025-08-31T10:10:08,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48/struc.xyz' 2025-08-31T10:10:08,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49/struc.xyz' 2025-08-31T10:10:08,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51/struc.xyz' 2025-08-31T10:10:08,479 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52/struc.xyz' 2025-08-31T10:10:08,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56/struc.xyz' 2025-08-31T10:10:08,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57/struc.xyz' 2025-08-31T10:10:08,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60/struc.xyz' 2025-08-31T10:10:08,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22/struc.xyz' 2025-08-31T10:10:08,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A/struc.xyz' 2025-08-31T10:10:08,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B/struc.xyz' 2025-08-31T10:10:08,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23/struc.xyz' 2025-08-31T10:10:08,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A/struc.xyz' 2025-08-31T10:10:08,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B/struc.xyz' 2025-08-31T10:10:08,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24/struc.xyz' 2025-08-31T10:10:08,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A/struc.xyz' 2025-08-31T10:10:08,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B/struc.xyz' 2025-08-31T10:10:08,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25/struc.xyz' 2025-08-31T10:10:08,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A/struc.xyz' 2025-08-31T10:10:08,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B/struc.xyz' 2025-08-31T10:10:08,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26/struc.xyz' 2025-08-31T10:10:08,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A/struc.xyz' 2025-08-31T10:10:08,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B/struc.xyz' 2025-08-31T10:10:08,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27/struc.xyz' 2025-08-31T10:10:08,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A/struc.xyz' 2025-08-31T10:10:08,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B/struc.xyz' 2025-08-31T10:10:08,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1/struc.xyz' 2025-08-31T10:10:08,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10/struc.xyz' 2025-08-31T10:10:08,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X/struc.xyz' 2025-08-31T10:10:08,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2/struc.xyz' 2025-08-31T10:10:08,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3/struc.xyz' 2025-08-31T10:10:08,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4/struc.xyz' 2025-08-31T10:10:08,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5/struc.xyz' 2025-08-31T10:10:08,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6/struc.xyz' 2025-08-31T10:10:08,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7/struc.xyz' 2025-08-31T10:10:08,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X/struc.xyz' 2025-08-31T10:10:08,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8/struc.xyz' 2025-08-31T10:10:08,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X/struc.xyz' 2025-08-31T10:10:08,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9/struc.xyz' 2025-08-31T10:10:08,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X/struc.xyz' 2025-08-31T10:10:08,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene/struc.xyz' 2025-08-31T10:10:08,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene/struc.xyz' 2025-08-31T10:10:08,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene/struc.xyz' 2025-08-31T10:10:08,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene/struc.xyz' 2025-08-31T10:10:08,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine/struc.xyz' 2025-08-31T10:10:08,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane/struc.xyz' 2025-08-31T10:10:08,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein/struc.xyz' 2025-08-31T10:10:08,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH/struc.xyz' 2025-08-31T10:10:08,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip/struc.xyz' 2025-08-31T10:10:08,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6/struc.xyz' 2025-08-31T10:10:08,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6/struc.xyz' 2025-08-31T10:10:08,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2/struc.xyz' 2025-08-31T10:10:08,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL/struc.xyz' 2025-08-31T10:10:08,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz' 2025-08-31T10:10:08,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz' 2025-08-31T10:10:08,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35/struc.xyz' 2025-08-31T10:10:08,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36/struc.xyz' 2025-08-31T10:10:08,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35/struc.xyz' 2025-08-31T10:10:08,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36/struc.xyz' 2025-08-31T10:10:08,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be/struc.xyz' 2025-08-31T10:10:08,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4/struc.xyz' 2025-08-31T10:10:08,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl/struc.xyz' 2025-08-31T10:10:08,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage/struc.xyz' 2025-08-31T10:10:08,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2/struc.xyz' 2025-08-31T10:10:08,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4/struc.xyz' 2025-08-31T10:10:08,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1/struc.xyz' 2025-08-31T10:10:08,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2/struc.xyz' 2025-08-31T10:10:08,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2/struc.xyz' 2025-08-31T10:10:08,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen/struc.xyz' 2025-08-31T10:10:08,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene/struc.xyz' 2025-08-31T10:10:08,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne/struc.xyz' 2025-08-31T10:10:08,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3/struc.xyz' 2025-08-31T10:10:08,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add/struc.xyz' 2025-08-31T10:10:08,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add/struc.xyz' 2025-08-31T10:10:08,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb/struc.xyz' 2025-08-31T10:10:08,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2/struc.xyz' 2025-08-31T10:10:08,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8/struc.xyz' 2025-08-31T10:10:08,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen/struc.xyz' 2025-08-31T10:10:08,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be/struc.xyz' 2025-08-31T10:10:08,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+/struc.xyz' 2025-08-31T10:10:08,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4/struc.xyz' 2025-08-31T10:10:08,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz' 2025-08-31T10:10:08,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6/struc.xyz' 2025-08-31T10:10:08,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz' 2025-08-31T10:10:08,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4/struc.xyz' 2025-08-31T10:10:08,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz' 2025-08-31T10:10:08,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o/struc.xyz' 2025-08-31T10:10:08,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz' 2025-08-31T10:10:08,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s/struc.xyz' 2025-08-31T10:10:08,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+/struc.xyz' 2025-08-31T10:10:08,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg/struc.xyz' 2025-08-31T10:10:08,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+/struc.xyz' 2025-08-31T10:10:08,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2/struc.xyz' 2025-08-31T10:10:08,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz' 2025-08-31T10:10:08,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3/struc.xyz' 2025-08-31T10:10:08,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+/struc.xyz' 2025-08-31T10:10:08,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3/struc.xyz' 2025-08-31T10:10:08,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+/struc.xyz' 2025-08-31T10:10:08,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene/struc.xyz' 2025-08-31T10:10:08,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene/struc.xyz' 2025-08-31T10:10:08,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne/struc.xyz' 2025-08-31T10:10:08,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne/struc.xyz' 2025-08-31T10:10:08,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene/struc.xyz' 2025-08-31T10:10:08,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane/struc.xyz' 2025-08-31T10:10:08,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2/struc.xyz' 2025-08-31T10:10:08,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz' 2025-08-31T10:10:08,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz' 2025-08-31T10:10:08,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz' 2025-08-31T10:10:08,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H/struc.xyz' 2025-08-31T10:10:08,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2/struc.xyz' 2025-08-31T10:10:08,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2/struc.xyz' 2025-08-31T10:10:08,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO/struc.xyz' 2025-08-31T10:10:08,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN/struc.xyz' 2025-08-31T10:10:08,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz' 2025-08-31T10:10:08,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H/struc.xyz' 2025-08-31T10:10:08,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2/struc.xyz' 2025-08-31T10:10:08,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO/struc.xyz' 2025-08-31T10:10:08,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2/struc.xyz' 2025-08-31T10:10:08,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH/struc.xyz' 2025-08-31T10:10:08,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2/struc.xyz' 2025-08-31T10:10:08,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO/struc.xyz' 2025-08-31T10:10:08,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H/struc.xyz' 2025-08-31T10:10:08,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO/struc.xyz' 2025-08-31T10:10:08,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2/struc.xyz' 2025-08-31T10:10:08,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz' 2025-08-31T10:10:08,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2/struc.xyz' 2025-08-31T10:10:08,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO/struc.xyz' 2025-08-31T10:10:08,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H/struc.xyz' 2025-08-31T10:10:08,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H/struc.xyz' 2025-08-31T10:10:08,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O/struc.xyz' 2025-08-31T10:10:08,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO/struc.xyz' 2025-08-31T10:10:08,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2/struc.xyz' 2025-08-31T10:10:08,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2/struc.xyz' 2025-08-31T10:10:08,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz' 2025-08-31T10:10:08,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2/struc.xyz' 2025-08-31T10:10:08,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2/struc.xyz' 2025-08-31T10:10:08,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz' 2025-08-31T10:10:08,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO/struc.xyz' 2025-08-31T10:10:08,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O/struc.xyz' 2025-08-31T10:10:08,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2/struc.xyz' 2025-08-31T10:10:08,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S/struc.xyz' 2025-08-31T10:10:08,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN/struc.xyz' 2025-08-31T10:10:08,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11/struc.xyz' 2025-08-31T10:10:08,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz' 2025-08-31T10:10:08,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl/struc.xyz' 2025-08-31T10:10:08,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene/struc.xyz' 2025-08-31T10:10:08,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3/struc.xyz' 2025-08-31T10:10:08,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2/struc.xyz' 2025-08-31T10:10:08,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2/struc.xyz' 2025-08-31T10:10:08,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz' 2025-08-31T10:10:08,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol/struc.xyz' 2025-08-31T10:10:08,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene/struc.xyz' 2025-08-31T10:10:08,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine/struc.xyz' 2025-08-31T10:10:08,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane/struc.xyz' 2025-08-31T10:10:08,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane/struc.xyz' 2025-08-31T10:10:08,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane/struc.xyz' 2025-08-31T10:10:08,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole/struc.xyz' 2025-08-31T10:10:08,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz' 2025-08-31T10:10:08,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene/struc.xyz' 2025-08-31T10:10:08,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz' 2025-08-31T10:10:08,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne/struc.xyz' 2025-08-31T10:10:08,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione/struc.xyz' 2025-08-31T10:10:08,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne/struc.xyz' 2025-08-31T10:10:08,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol/struc.xyz' 2025-08-31T10:10:08,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz' 2025-08-31T10:10:08,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz' 2025-08-31T10:10:08,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz' 2025-08-31T10:10:08,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane/struc.xyz' 2025-08-31T10:10:08,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran/struc.xyz' 2025-08-31T10:10:08,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole/struc.xyz' 2025-08-31T10:10:08,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole/struc.xyz' 2025-08-31T10:10:08,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine/struc.xyz' 2025-08-31T10:10:08,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole/struc.xyz' 2025-08-31T10:10:08,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane/struc.xyz' 2025-08-31T10:10:08,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane/struc.xyz' 2025-08-31T10:10:08,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane/struc.xyz' 2025-08-31T10:10:08,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene/struc.xyz' 2025-08-31T10:10:08,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol/struc.xyz' 2025-08-31T10:10:08,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol/struc.xyz' 2025-08-31T10:10:08,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran/struc.xyz' 2025-08-31T10:10:08,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane/struc.xyz' 2025-08-31T10:10:08,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene/struc.xyz' 2025-08-31T10:10:08,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane/struc.xyz' 2025-08-31T10:10:08,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene/struc.xyz' 2025-08-31T10:10:08,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene/struc.xyz' 2025-08-31T10:10:08,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10/struc.xyz' 2025-08-31T10:10:08,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n/struc.xyz' 2025-08-31T10:10:08,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11/struc.xyz' 2025-08-31T10:10:08,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n/struc.xyz' 2025-08-31T10:10:08,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12/struc.xyz' 2025-08-31T10:10:08,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n/struc.xyz' 2025-08-31T10:10:08,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13/struc.xyz' 2025-08-31T10:10:08,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n/struc.xyz' 2025-08-31T10:10:08,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14/struc.xyz' 2025-08-31T10:10:08,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n/struc.xyz' 2025-08-31T10:10:08,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15/struc.xyz' 2025-08-31T10:10:08,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n/struc.xyz' 2025-08-31T10:10:08,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16/struc.xyz' 2025-08-31T10:10:08,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n/struc.xyz' 2025-08-31T10:10:08,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17/struc.xyz' 2025-08-31T10:10:08,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n/struc.xyz' 2025-08-31T10:10:08,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18/struc.xyz' 2025-08-31T10:10:08,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n/struc.xyz' 2025-08-31T10:10:08,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19/struc.xyz' 2025-08-31T10:10:08,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n/struc.xyz' 2025-08-31T10:10:08,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20/struc.xyz' 2025-08-31T10:10:08,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n/struc.xyz' 2025-08-31T10:10:08,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21/struc.xyz' 2025-08-31T10:10:08,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n/struc.xyz' 2025-08-31T10:10:08,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22/struc.xyz' 2025-08-31T10:10:08,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n/struc.xyz' 2025-08-31T10:10:08,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23/struc.xyz' 2025-08-31T10:10:08,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n/struc.xyz' 2025-08-31T10:10:08,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24/struc.xyz' 2025-08-31T10:10:08,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n/struc.xyz' 2025-08-31T10:10:08,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25/struc.xyz' 2025-08-31T10:10:08,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n/struc.xyz' 2025-08-31T10:10:08,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8/struc.xyz' 2025-08-31T10:10:08,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n/struc.xyz' 2025-08-31T10:10:08,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9/struc.xyz' 2025-08-31T10:10:08,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n/struc.xyz' 2025-08-31T10:10:08,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c/struc.xyz' 2025-08-31T10:10:08,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-/struc.xyz' 2025-08-31T10:10:08,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl/struc.xyz' 2025-08-31T10:10:08,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-/struc.xyz' 2025-08-31T10:10:08,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f/struc.xyz' 2025-08-31T10:10:08,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-/struc.xyz' 2025-08-31T10:10:08,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o/struc.xyz' 2025-08-31T10:10:08,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-/struc.xyz' 2025-08-31T10:10:08,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p/struc.xyz' 2025-08-31T10:10:08,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-/struc.xyz' 2025-08-31T10:10:08,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s/struc.xyz' 2025-08-31T10:10:08,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-/struc.xyz' 2025-08-31T10:10:08,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si/struc.xyz' 2025-08-31T10:10:08,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-/struc.xyz' 2025-08-31T10:10:08,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11/struc.xyz' 2025-08-31T10:10:08,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12/struc.xyz' 2025-08-31T10:10:08,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13/struc.xyz' 2025-08-31T10:10:08,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137/struc.xyz' 2025-08-31T10:10:08,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14/struc.xyz' 2025-08-31T10:10:08,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18/struc.xyz' 2025-08-31T10:10:08,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19/struc.xyz' 2025-08-31T10:10:08,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20/struc.xyz' 2025-08-31T10:10:08,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22/struc.xyz' 2025-08-31T10:10:08,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25/struc.xyz' 2025-08-31T10:10:08,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26/struc.xyz' 2025-08-31T10:10:08,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30/struc.xyz' 2025-08-31T10:10:08,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34/struc.xyz' 2025-08-31T10:10:08,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37/struc.xyz' 2025-08-31T10:10:08,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43/struc.xyz' 2025-08-31T10:10:08,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44/struc.xyz' 2025-08-31T10:10:08,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45/struc.xyz' 2025-08-31T10:10:08,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48/struc.xyz' 2025-08-31T10:10:08,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51/struc.xyz' 2025-08-31T10:10:08,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8/struc.xyz' 2025-08-31T10:10:08,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59/struc.xyz' 2025-08-31T10:10:08,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60/struc.xyz' 2025-08-31T10:10:08,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61/struc.xyz' 2025-08-31T10:10:08,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62/struc.xyz' 2025-08-31T10:10:08,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63/struc.xyz' 2025-08-31T10:10:08,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64/struc.xyz' 2025-08-31T10:10:08,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65/struc.xyz' 2025-08-31T10:10:08,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66/struc.xyz' 2025-08-31T10:10:08,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67/struc.xyz' 2025-08-31T10:10:08,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68/struc.xyz' 2025-08-31T10:10:08,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70/struc.xyz' 2025-08-31T10:10:08,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71/struc.xyz' 2025-08-31T10:10:08,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72/struc.xyz' 2025-08-31T10:10:08,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73/struc.xyz' 2025-08-31T10:10:08,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74/struc.xyz' 2025-08-31T10:10:08,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75/struc.xyz' 2025-08-31T10:10:08,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76/struc.xyz' 2025-08-31T10:10:08,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77/struc.xyz' 2025-08-31T10:10:08,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78/struc.xyz' 2025-08-31T10:10:08,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79/struc.xyz' 2025-08-31T10:10:08,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80/struc.xyz' 2025-08-31T10:10:08,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65/struc.xyz' 2025-08-31T10:10:08,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al/struc.xyz' 2025-08-31T10:10:08,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+/struc.xyz' 2025-08-31T10:10:08,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b/struc.xyz' 2025-08-31T10:10:08,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+/struc.xyz' 2025-08-31T10:10:08,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be/struc.xyz' 2025-08-31T10:10:08,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+/struc.xyz' 2025-08-31T10:10:08,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c/struc.xyz' 2025-08-31T10:10:08,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+/struc.xyz' 2025-08-31T10:10:08,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl/struc.xyz' 2025-08-31T10:10:08,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+/struc.xyz' 2025-08-31T10:10:08,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f/struc.xyz' 2025-08-31T10:10:08,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+/struc.xyz' 2025-08-31T10:10:08,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h/struc.xyz' 2025-08-31T10:10:08,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li/struc.xyz' 2025-08-31T10:10:08,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+/struc.xyz' 2025-08-31T10:10:08,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg/struc.xyz' 2025-08-31T10:10:08,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+/struc.xyz' 2025-08-31T10:10:08,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n/struc.xyz' 2025-08-31T10:10:08,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+/struc.xyz' 2025-08-31T10:10:08,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na/struc.xyz' 2025-08-31T10:10:08,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+/struc.xyz' 2025-08-31T10:10:08,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o/struc.xyz' 2025-08-31T10:10:08,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+/struc.xyz' 2025-08-31T10:10:08,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p/struc.xyz' 2025-08-31T10:10:08,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+/struc.xyz' 2025-08-31T10:10:08,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s/struc.xyz' 2025-08-31T10:10:08,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+/struc.xyz' 2025-08-31T10:10:08,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si/struc.xyz' 2025-08-31T10:10:08,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+/struc.xyz' 2025-08-31T10:10:08,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1/struc.xyz' 2025-08-31T10:10:08,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100/struc.xyz' 2025-08-31T10:10:08,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104/struc.xyz' 2025-08-31T10:10:08,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106/struc.xyz' 2025-08-31T10:10:08,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11/struc.xyz' 2025-08-31T10:10:08,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113/struc.xyz' 2025-08-31T10:10:08,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117/struc.xyz' 2025-08-31T10:10:08,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118/struc.xyz' 2025-08-31T10:10:08,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121/struc.xyz' 2025-08-31T10:10:08,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126/struc.xyz' 2025-08-31T10:10:08,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128/struc.xyz' 2025-08-31T10:10:08,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13/struc.xyz' 2025-08-31T10:10:08,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14/struc.xyz' 2025-08-31T10:10:08,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18/struc.xyz' 2025-08-31T10:10:08,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21/struc.xyz' 2025-08-31T10:10:08,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22/struc.xyz' 2025-08-31T10:10:08,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23/struc.xyz' 2025-08-31T10:10:08,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24/struc.xyz' 2025-08-31T10:10:08,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25/struc.xyz' 2025-08-31T10:10:08,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26/struc.xyz' 2025-08-31T10:10:08,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30/struc.xyz' 2025-08-31T10:10:08,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32/struc.xyz' 2025-08-31T10:10:08,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33/struc.xyz' 2025-08-31T10:10:09,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34/struc.xyz' 2025-08-31T10:10:09,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39/struc.xyz' 2025-08-31T10:10:09,004 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40/struc.xyz' 2025-08-31T10:10:09,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45/struc.xyz' 2025-08-31T10:10:09,007 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47/struc.xyz' 2025-08-31T10:10:09,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51/struc.xyz' 2025-08-31T10:10:09,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52/struc.xyz' 2025-08-31T10:10:09,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56/struc.xyz' 2025-08-31T10:10:09,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57/struc.xyz' 2025-08-31T10:10:09,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58/struc.xyz' 2025-08-31T10:10:09,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59/struc.xyz' 2025-08-31T10:10:09,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6/struc.xyz' 2025-08-31T10:10:09,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60/struc.xyz' 2025-08-31T10:10:09,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61/struc.xyz' 2025-08-31T10:10:09,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62/struc.xyz' 2025-08-31T10:10:09,024 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66/struc.xyz' 2025-08-31T10:10:09,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67/struc.xyz' 2025-08-31T10:10:09,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68/struc.xyz' 2025-08-31T10:10:09,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73/struc.xyz' 2025-08-31T10:10:09,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8/struc.xyz' 2025-08-31T10:10:09,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82/struc.xyz' 2025-08-31T10:10:09,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88/struc.xyz' 2025-08-31T10:10:09,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94/struc.xyz' 2025-08-31T10:10:09,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97/struc.xyz' 2025-08-31T10:10:09,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA/struc.xyz' 2025-08-31T10:10:09,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz' 2025-08-31T10:10:09,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB/struc.xyz' 2025-08-31T10:10:09,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA/struc.xyz' 2025-08-31T10:10:09,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz' 2025-08-31T10:10:09,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB/struc.xyz' 2025-08-31T10:10:09,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz' 2025-08-31T10:10:09,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz' 2025-08-31T10:10:09,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz' 2025-08-31T10:10:09,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz' 2025-08-31T10:10:09,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz' 2025-08-31T10:10:09,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz' 2025-08-31T10:10:09,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz' 2025-08-31T10:10:09,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz' 2025-08-31T10:10:09,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz' 2025-08-31T10:10:09,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz' 2025-08-31T10:10:09,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz' 2025-08-31T10:10:09,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz' 2025-08-31T10:10:09,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz' 2025-08-31T10:10:09,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz' 2025-08-31T10:10:09,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz' 2025-08-31T10:10:09,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz' 2025-08-31T10:10:09,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz' 2025-08-31T10:10:09,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz' 2025-08-31T10:10:09,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz' 2025-08-31T10:10:09,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz' 2025-08-31T10:10:09,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz' 2025-08-31T10:10:09,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz' 2025-08-31T10:10:09,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz' 2025-08-31T10:10:09,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz' 2025-08-31T10:10:09,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz' 2025-08-31T10:10:09,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz' 2025-08-31T10:10:09,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz' 2025-08-31T10:10:09,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz' 2025-08-31T10:10:09,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz' 2025-08-31T10:10:09,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz' 2025-08-31T10:10:09,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz' 2025-08-31T10:10:09,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz' 2025-08-31T10:10:09,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz' 2025-08-31T10:10:09,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz' 2025-08-31T10:10:09,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz' 2025-08-31T10:10:09,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz' 2025-08-31T10:10:09,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr/struc.xyz' 2025-08-31T10:10:09,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz' 2025-08-31T10:10:09,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe/struc.xyz' 2025-08-31T10:10:09,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH/struc.xyz' 2025-08-31T10:10:09,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3/struc.xyz' 2025-08-31T10:10:09,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz' 2025-08-31T10:10:09,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz' 2025-08-31T10:10:09,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH/struc.xyz' 2025-08-31T10:10:09,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr/struc.xyz' 2025-08-31T10:10:09,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI/struc.xyz' 2025-08-31T10:10:09,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr/struc.xyz' 2025-08-31T10:10:09,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH/struc.xyz' 2025-08-31T10:10:09,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl/struc.xyz' 2025-08-31T10:10:09,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI/struc.xyz' 2025-08-31T10:10:09,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH/struc.xyz' 2025-08-31T10:10:09,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe/struc.xyz' 2025-08-31T10:10:09,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH/struc.xyz' 2025-08-31T10:10:09,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3/struc.xyz' 2025-08-31T10:10:09,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2/struc.xyz' 2025-08-31T10:10:09,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3/struc.xyz' 2025-08-31T10:10:09,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH/struc.xyz' 2025-08-31T10:10:09,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr/struc.xyz' 2025-08-31T10:10:09,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe/struc.xyz' 2025-08-31T10:10:09,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI/struc.xyz' 2025-08-31T10:10:09,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH/struc.xyz' 2025-08-31T10:10:09,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe/struc.xyz' 2025-08-31T10:10:09,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH/struc.xyz' 2025-08-31T10:10:09,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3/struc.xyz' 2025-08-31T10:10:09,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2/struc.xyz' 2025-08-31T10:10:09,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3/struc.xyz' 2025-08-31T10:10:09,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH/struc.xyz' 2025-08-31T10:10:09,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr/struc.xyz' 2025-08-31T10:10:09,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS/struc.xyz' 2025-08-31T10:10:09,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH/struc.xyz' 2025-08-31T10:10:09,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI/struc.xyz' 2025-08-31T10:10:09,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr/struc.xyz' 2025-08-31T10:10:09,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl/struc.xyz' 2025-08-31T10:10:09,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS/struc.xyz' 2025-08-31T10:10:09,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS/struc.xyz' 2025-08-31T10:10:09,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr/struc.xyz' 2025-08-31T10:10:09,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI/struc.xyz' 2025-08-31T10:10:09,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3/struc.xyz' 2025-08-31T10:10:09,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI/struc.xyz' 2025-08-31T10:10:09,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr/struc.xyz' 2025-08-31T10:10:09,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl/struc.xyz' 2025-08-31T10:10:09,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS/struc.xyz' 2025-08-31T10:10:09,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS/struc.xyz' 2025-08-31T10:10:09,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr/struc.xyz' 2025-08-31T10:10:09,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI/struc.xyz' 2025-08-31T10:10:09,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS/struc.xyz' 2025-08-31T10:10:09,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2/struc.xyz' 2025-08-31T10:10:09,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3/struc.xyz' 2025-08-31T10:10:09,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH/struc.xyz' 2025-08-31T10:10:09,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI/struc.xyz' 2025-08-31T10:10:09,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr/struc.xyz' 2025-08-31T10:10:09,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl/struc.xyz' 2025-08-31T10:10:09,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS/struc.xyz' 2025-08-31T10:10:09,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS/struc.xyz' 2025-08-31T10:10:09,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr/struc.xyz' 2025-08-31T10:10:09,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI/struc.xyz' 2025-08-31T10:10:09,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr/struc.xyz' 2025-08-31T10:10:09,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI/struc.xyz' 2025-08-31T10:10:09,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr/struc.xyz' 2025-08-31T10:10:09,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3/struc.xyz' 2025-08-31T10:10:09,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2/struc.xyz' 2025-08-31T10:10:09,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz' 2025-08-31T10:10:09,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz' 2025-08-31T10:10:09,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz' 2025-08-31T10:10:09,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz' 2025-08-31T10:10:09,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi/struc.xyz' 2025-08-31T10:10:09,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz' 2025-08-31T10:10:09,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o/struc.xyz' 2025-08-31T10:10:09,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s/struc.xyz' 2025-08-31T10:10:09,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr/struc.xyz' 2025-08-31T10:10:09,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl/struc.xyz' 2025-08-31T10:10:09,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi/struc.xyz' 2025-08-31T10:10:09,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3/struc.xyz' 2025-08-31T10:10:09,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4/struc.xyz' 2025-08-31T10:10:09,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2/struc.xyz' 2025-08-31T10:10:09,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz' 2025-08-31T10:10:09,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz' 2025-08-31T10:10:09,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz' 2025-08-31T10:10:09,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz' 2025-08-31T10:10:09,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz' 2025-08-31T10:10:09,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz' 2025-08-31T10:10:09,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3/struc.xyz' 2025-08-31T10:10:09,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2/struc.xyz' 2025-08-31T10:10:09,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz' 2025-08-31T10:10:09,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz' 2025-08-31T10:10:09,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz' 2025-08-31T10:10:09,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz' 2025-08-31T10:10:09,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz' 2025-08-31T10:10:09,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz' 2025-08-31T10:10:09,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2/struc.xyz' 2025-08-31T10:10:09,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2/struc.xyz' 2025-08-31T10:10:09,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz' 2025-08-31T10:10:09,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz' 2025-08-31T10:10:09,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz' 2025-08-31T10:10:09,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz' 2025-08-31T10:10:09,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi/struc.xyz' 2025-08-31T10:10:09,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz' 2025-08-31T10:10:09,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4/struc.xyz' 2025-08-31T10:10:09,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2/struc.xyz' 2025-08-31T10:10:09,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br/struc.xyz' 2025-08-31T10:10:09,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2/struc.xyz' 2025-08-31T10:10:09,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl/struc.xyz' 2025-08-31T10:10:09,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2/struc.xyz' 2025-08-31T10:10:09,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz' 2025-08-31T10:10:09,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3/struc.xyz' 2025-08-31T10:10:09,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2/struc.xyz' 2025-08-31T10:10:09,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2/struc.xyz' 2025-08-31T10:10:09,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4/struc.xyz' 2025-08-31T10:10:09,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz' 2025-08-31T10:10:09,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3/struc.xyz' 2025-08-31T10:10:09,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2/struc.xyz' 2025-08-31T10:10:09,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz' 2025-08-31T10:10:09,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2/struc.xyz' 2025-08-31T10:10:09,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh/struc.xyz' 2025-08-31T10:10:09,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh/struc.xyz' 2025-08-31T10:10:09,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz' 2025-08-31T10:10:09,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3/struc.xyz' 2025-08-31T10:10:09,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2/struc.xyz' 2025-08-31T10:10:09,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme/struc.xyz' 2025-08-31T10:10:09,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1/struc.xyz' 2025-08-31T10:10:09,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2/struc.xyz' 2025-08-31T10:10:09,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3/struc.xyz' 2025-08-31T10:10:09,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1/struc.xyz' 2025-08-31T10:10:09,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2/struc.xyz' 2025-08-31T10:10:09,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3/struc.xyz' 2025-08-31T10:10:09,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4/struc.xyz' 2025-08-31T10:10:09,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1/struc.xyz' 2025-08-31T10:10:09,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2/struc.xyz' 2025-08-31T10:10:09,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3/struc.xyz' 2025-08-31T10:10:09,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1/struc.xyz' 2025-08-31T10:10:09,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2/struc.xyz' 2025-08-31T10:10:09,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1/struc.xyz' 2025-08-31T10:10:09,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2/struc.xyz' 2025-08-31T10:10:09,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3/struc.xyz' 2025-08-31T10:10:09,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1/struc.xyz' 2025-08-31T10:10:09,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2/struc.xyz' 2025-08-31T10:10:09,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1/struc.xyz' 2025-08-31T10:10:09,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2/struc.xyz' 2025-08-31T10:10:09,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1/struc.xyz' 2025-08-31T10:10:09,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2/struc.xyz' 2025-08-31T10:10:09,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1/struc.xyz' 2025-08-31T10:10:09,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2/struc.xyz' 2025-08-31T10:10:09,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3/struc.xyz' 2025-08-31T10:10:09,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4/struc.xyz' 2025-08-31T10:10:09,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1/struc.xyz' 2025-08-31T10:10:09,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2/struc.xyz' 2025-08-31T10:10:09,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f/struc.xyz' 2025-08-31T10:10:09,351 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l/struc.xyz' 2025-08-31T10:10:09,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f/struc.xyz' 2025-08-31T10:10:09,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l/struc.xyz' 2025-08-31T10:10:09,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant/struc.xyz' 2025-08-31T10:10:09,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer/struc.xyz' 2025-08-31T10:10:09,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2/struc.xyz' 2025-08-31T10:10:09,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1/struc.xyz' 2025-08-31T10:10:09,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2/struc.xyz' 2025-08-31T10:10:09,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22/struc.xyz' 2025-08-31T10:10:09,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene/struc.xyz' 2025-08-31T10:10:09,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1/struc.xyz' 2025-08-31T10:10:09,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2/struc.xyz' 2025-08-31T10:10:09,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008/struc.xyz' 2025-08-31T10:10:09,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A/struc.xyz' 2025-08-31T10:10:09,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B/struc.xyz' 2025-08-31T10:10:09,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144/struc.xyz' 2025-08-31T10:10:09,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A/struc.xyz' 2025-08-31T10:10:09,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B/struc.xyz' 2025-08-31T10:10:09,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147/struc.xyz' 2025-08-31T10:10:09,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A/struc.xyz' 2025-08-31T10:10:09,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B/struc.xyz' 2025-08-31T10:10:09,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148/struc.xyz' 2025-08-31T10:10:09,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A/struc.xyz' 2025-08-31T10:10:09,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B/struc.xyz' 2025-08-31T10:10:09,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150/struc.xyz' 2025-08-31T10:10:09,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A/struc.xyz' 2025-08-31T10:10:09,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B/struc.xyz' 2025-08-31T10:10:09,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152/struc.xyz' 2025-08-31T10:10:09,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A/struc.xyz' 2025-08-31T10:10:09,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B/struc.xyz' 2025-08-31T10:10:09,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187/struc.xyz' 2025-08-31T10:10:09,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A/struc.xyz' 2025-08-31T10:10:09,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B/struc.xyz' 2025-08-31T10:10:09,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202/struc.xyz' 2025-08-31T10:10:09,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A/struc.xyz' 2025-08-31T10:10:09,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B/struc.xyz' 2025-08-31T10:10:09,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212/struc.xyz' 2025-08-31T10:10:09,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A/struc.xyz' 2025-08-31T10:10:09,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B/struc.xyz' 2025-08-31T10:10:09,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213/struc.xyz' 2025-08-31T10:10:09,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A/struc.xyz' 2025-08-31T10:10:09,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B/struc.xyz' 2025-08-31T10:10:09,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214/struc.xyz' 2025-08-31T10:10:09,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A/struc.xyz' 2025-08-31T10:10:09,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B/struc.xyz' 2025-08-31T10:10:09,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227/struc.xyz' 2025-08-31T10:10:09,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A/struc.xyz' 2025-08-31T10:10:09,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B/struc.xyz' 2025-08-31T10:10:09,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228/struc.xyz' 2025-08-31T10:10:09,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A/struc.xyz' 2025-08-31T10:10:09,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B/struc.xyz' 2025-08-31T10:10:09,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229/struc.xyz' 2025-08-31T10:10:09,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A/struc.xyz' 2025-08-31T10:10:09,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B/struc.xyz' 2025-08-31T10:10:09,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230/struc.xyz' 2025-08-31T10:10:09,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A/struc.xyz' 2025-08-31T10:10:09,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B/struc.xyz' 2025-08-31T10:10:09,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231/struc.xyz' 2025-08-31T10:10:09,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A/struc.xyz' 2025-08-31T10:10:09,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B/struc.xyz' 2025-08-31T10:10:09,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene/struc.xyz' 2025-08-31T10:10:09,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz' 2025-08-31T10:10:09,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene/struc.xyz' 2025-08-31T10:10:09,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz' 2025-08-31T10:10:09,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene/struc.xyz' 2025-08-31T10:10:09,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS/struc.xyz' 2025-08-31T10:10:09,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz' 2025-08-31T10:10:09,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz' 2025-08-31T10:10:09,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz' 2025-08-31T10:10:09,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz' 2025-08-31T10:10:09,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether/struc.xyz' 2025-08-31T10:10:09,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS/struc.xyz' 2025-08-31T10:10:09,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O/struc.xyz' 2025-08-31T10:10:09,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS/struc.xyz' 2025-08-31T10:10:09,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S/struc.xyz' 2025-08-31T10:10:09,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS/struc.xyz' 2025-08-31T10:10:09,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene/struc.xyz' 2025-08-31T10:10:09,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz' 2025-08-31T10:10:09,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine/struc.xyz' 2025-08-31T10:10:09,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz' 2025-08-31T10:10:09,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3/struc.xyz' 2025-08-31T10:10:09,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS/struc.xyz' 2025-08-31T10:10:09,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3/struc.xyz' 2025-08-31T10:10:09,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS/struc.xyz' 2025-08-31T10:10:09,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3/struc.xyz' 2025-08-31T10:10:09,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS/struc.xyz' 2025-08-31T10:10:09,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph/struc.xyz' 2025-08-31T10:10:09,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS/struc.xyz' 2025-08-31T10:10:09,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3/struc.xyz' 2025-08-31T10:10:09,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS/struc.xyz' 2025-08-31T10:10:09,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3/struc.xyz' 2025-08-31T10:10:09,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS/struc.xyz' 2025-08-31T10:10:09,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene/struc.xyz' 2025-08-31T10:10:09,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz' 2025-08-31T10:10:09,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2/struc.xyz' 2025-08-31T10:10:09,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS/struc.xyz' 2025-08-31T10:10:09,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene/struc.xyz' 2025-08-31T10:10:09,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS/struc.xyz' 2025-08-31T10:10:09,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz' 2025-08-31T10:10:09,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz' 2025-08-31T10:10:09,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene/struc.xyz' 2025-08-31T10:10:09,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz' 2025-08-31T10:10:09,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether/struc.xyz' 2025-08-31T10:10:09,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS/struc.xyz' 2025-08-31T10:10:09,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene/struc.xyz' 2025-08-31T10:10:09,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz' 2025-08-31T10:10:09,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz' 2025-08-31T10:10:09,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz' 2025-08-31T10:10:09,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1/struc.xyz' 2025-08-31T10:10:09,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10/struc.xyz' 2025-08-31T10:10:09,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11/struc.xyz' 2025-08-31T10:10:09,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12/struc.xyz' 2025-08-31T10:10:09,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13/struc.xyz' 2025-08-31T10:10:09,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14/struc.xyz' 2025-08-31T10:10:09,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15/struc.xyz' 2025-08-31T10:10:09,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16/struc.xyz' 2025-08-31T10:10:09,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17/struc.xyz' 2025-08-31T10:10:09,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18/struc.xyz' 2025-08-31T10:10:09,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19/struc.xyz' 2025-08-31T10:10:09,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20/struc.xyz' 2025-08-31T10:10:09,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21/struc.xyz' 2025-08-31T10:10:09,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22/struc.xyz' 2025-08-31T10:10:09,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23/struc.xyz' 2025-08-31T10:10:09,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24/struc.xyz' 2025-08-31T10:10:09,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25/struc.xyz' 2025-08-31T10:10:09,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26/struc.xyz' 2025-08-31T10:10:09,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27/struc.xyz' 2025-08-31T10:10:09,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28/struc.xyz' 2025-08-31T10:10:09,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29/struc.xyz' 2025-08-31T10:10:09,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3/struc.xyz' 2025-08-31T10:10:09,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30/struc.xyz' 2025-08-31T10:10:09,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31/struc.xyz' 2025-08-31T10:10:09,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32/struc.xyz' 2025-08-31T10:10:09,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33/struc.xyz' 2025-08-31T10:10:09,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34/struc.xyz' 2025-08-31T10:10:09,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4/struc.xyz' 2025-08-31T10:10:09,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5/struc.xyz' 2025-08-31T10:10:09,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7/struc.xyz' 2025-08-31T10:10:09,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8/struc.xyz' 2025-08-31T10:10:09,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9/struc.xyz' 2025-08-31T10:10:09,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1/struc.xyz' 2025-08-31T10:10:09,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10/struc.xyz' 2025-08-31T10:10:09,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11/struc.xyz' 2025-08-31T10:10:09,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12/struc.xyz' 2025-08-31T10:10:09,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13/struc.xyz' 2025-08-31T10:10:09,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14/struc.xyz' 2025-08-31T10:10:09,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15/struc.xyz' 2025-08-31T10:10:09,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16/struc.xyz' 2025-08-31T10:10:09,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17/struc.xyz' 2025-08-31T10:10:09,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18/struc.xyz' 2025-08-31T10:10:09,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2/struc.xyz' 2025-08-31T10:10:09,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20/struc.xyz' 2025-08-31T10:10:09,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21/struc.xyz' 2025-08-31T10:10:09,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23/struc.xyz' 2025-08-31T10:10:09,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24/struc.xyz' 2025-08-31T10:10:09,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25/struc.xyz' 2025-08-31T10:10:09,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26/struc.xyz' 2025-08-31T10:10:09,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27/struc.xyz' 2025-08-31T10:10:09,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28/struc.xyz' 2025-08-31T10:10:09,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29/struc.xyz' 2025-08-31T10:10:09,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3/struc.xyz' 2025-08-31T10:10:09,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30/struc.xyz' 2025-08-31T10:10:09,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31/struc.xyz' 2025-08-31T10:10:09,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32/struc.xyz' 2025-08-31T10:10:09,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33/struc.xyz' 2025-08-31T10:10:09,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34/struc.xyz' 2025-08-31T10:10:09,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4/struc.xyz' 2025-08-31T10:10:09,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6/struc.xyz' 2025-08-31T10:10:09,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7/struc.xyz' 2025-08-31T10:10:09,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8/struc.xyz' 2025-08-31T10:10:09,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9/struc.xyz' 2025-08-31T10:10:09,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e/struc.xyz' 2025-08-31T10:10:09,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p/struc.xyz' 2025-08-31T10:10:09,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e/struc.xyz' 2025-08-31T10:10:09,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p/struc.xyz' 2025-08-31T10:10:09,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e/struc.xyz' 2025-08-31T10:10:09,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p/struc.xyz' 2025-08-31T10:10:09,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e/struc.xyz' 2025-08-31T10:10:09,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p/struc.xyz' 2025-08-31T10:10:09,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e/struc.xyz' 2025-08-31T10:10:09,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p/struc.xyz' 2025-08-31T10:10:09,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e/struc.xyz' 2025-08-31T10:10:09,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p/struc.xyz' 2025-08-31T10:10:09,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e/struc.xyz' 2025-08-31T10:10:09,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p/struc.xyz' 2025-08-31T10:10:09,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e/struc.xyz' 2025-08-31T10:10:09,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p/struc.xyz' 2025-08-31T10:10:09,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e/struc.xyz' 2025-08-31T10:10:09,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p/struc.xyz' 2025-08-31T10:10:09,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e/struc.xyz' 2025-08-31T10:10:09,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p/struc.xyz' 2025-08-31T10:10:09,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e/struc.xyz' 2025-08-31T10:10:09,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p/struc.xyz' 2025-08-31T10:10:09,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e/struc.xyz' 2025-08-31T10:10:09,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p/struc.xyz' 2025-08-31T10:10:09,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e/struc.xyz' 2025-08-31T10:10:09,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p/struc.xyz' 2025-08-31T10:10:09,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e/struc.xyz' 2025-08-31T10:10:09,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p/struc.xyz' 2025-08-31T10:10:09,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e/struc.xyz' 2025-08-31T10:10:09,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p/struc.xyz' 2025-08-31T10:10:09,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e/struc.xyz' 2025-08-31T10:10:09,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p/struc.xyz' 2025-08-31T10:10:09,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e/struc.xyz' 2025-08-31T10:10:09,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p/struc.xyz' 2025-08-31T10:10:09,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e/struc.xyz' 2025-08-31T10:10:09,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p/struc.xyz' 2025-08-31T10:10:09,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e/struc.xyz' 2025-08-31T10:10:09,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p/struc.xyz' 2025-08-31T10:10:09,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e/struc.xyz' 2025-08-31T10:10:09,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p/struc.xyz' 2025-08-31T10:10:09,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e/struc.xyz' 2025-08-31T10:10:09,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p/struc.xyz' 2025-08-31T10:10:09,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e/struc.xyz' 2025-08-31T10:10:09,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p/struc.xyz' 2025-08-31T10:10:09,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e/struc.xyz' 2025-08-31T10:10:09,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p/struc.xyz' 2025-08-31T10:10:09,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e/struc.xyz' 2025-08-31T10:10:09,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p/struc.xyz' 2025-08-31T10:10:09,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01/struc.xyz' 2025-08-31T10:10:09,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02/struc.xyz' 2025-08-31T10:10:09,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03/struc.xyz' 2025-08-31T10:10:09,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04/struc.xyz' 2025-08-31T10:10:09,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05/struc.xyz' 2025-08-31T10:10:09,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06/struc.xyz' 2025-08-31T10:10:09,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07/struc.xyz' 2025-08-31T10:10:09,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08/struc.xyz' 2025-08-31T10:10:09,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09/struc.xyz' 2025-08-31T10:10:09,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10/struc.xyz' 2025-08-31T10:10:09,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11/struc.xyz' 2025-08-31T10:10:09,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12/struc.xyz' 2025-08-31T10:10:09,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13/struc.xyz' 2025-08-31T10:10:09,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14/struc.xyz' 2025-08-31T10:10:09,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15/struc.xyz' 2025-08-31T10:10:09,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16/struc.xyz' 2025-08-31T10:10:09,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17/struc.xyz' 2025-08-31T10:10:09,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18/struc.xyz' 2025-08-31T10:10:09,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19/struc.xyz' 2025-08-31T10:10:09,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20/struc.xyz' 2025-08-31T10:10:09,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21/struc.xyz' 2025-08-31T10:10:09,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22/struc.xyz' 2025-08-31T10:10:09,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23/struc.xyz' 2025-08-31T10:10:09,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24/struc.xyz' 2025-08-31T10:10:09,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25/struc.xyz' 2025-08-31T10:10:09,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26/struc.xyz' 2025-08-31T10:10:09,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27/struc.xyz' 2025-08-31T10:10:09,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28/struc.xyz' 2025-08-31T10:10:09,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29/struc.xyz' 2025-08-31T10:10:09,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30/struc.xyz' 2025-08-31T10:10:09,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31/struc.xyz' 2025-08-31T10:10:09,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32/struc.xyz' 2025-08-31T10:10:09,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33/struc.xyz' 2025-08-31T10:10:09,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34/struc.xyz' 2025-08-31T10:10:09,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35/struc.xyz' 2025-08-31T10:10:09,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36/struc.xyz' 2025-08-31T10:10:09,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37/struc.xyz' 2025-08-31T10:10:09,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38/struc.xyz' 2025-08-31T10:10:09,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39/struc.xyz' 2025-08-31T10:10:09,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40/struc.xyz' 2025-08-31T10:10:09,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41/struc.xyz' 2025-08-31T10:10:09,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42/struc.xyz' 2025-08-31T10:10:09,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43/struc.xyz' 2025-08-31T10:10:09,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3/struc.xyz' 2025-08-31T10:10:09,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3/struc.xyz' 2025-08-31T10:10:09,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2/struc.xyz' 2025-08-31T10:10:09,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4/struc.xyz' 2025-08-31T10:10:09,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2/struc.xyz' 2025-08-31T10:10:09,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2/struc.xyz' 2025-08-31T10:10:09,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2/struc.xyz' 2025-08-31T10:10:09,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH/struc.xyz' 2025-08-31T10:10:09,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2/struc.xyz' 2025-08-31T10:10:09,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2/struc.xyz' 2025-08-31T10:10:09,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH/struc.xyz' 2025-08-31T10:10:09,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2/struc.xyz' 2025-08-31T10:10:09,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2/struc.xyz' 2025-08-31T10:10:09,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2/struc.xyz' 2025-08-31T10:10:09,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4/struc.xyz' 2025-08-31T10:10:09,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1/struc.xyz' 2025-08-31T10:10:09,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10/struc.xyz' 2025-08-31T10:10:09,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11/struc.xyz' 2025-08-31T10:10:09,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12/struc.xyz' 2025-08-31T10:10:09,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13/struc.xyz' 2025-08-31T10:10:09,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14/struc.xyz' 2025-08-31T10:10:09,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15/struc.xyz' 2025-08-31T10:10:09,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16/struc.xyz' 2025-08-31T10:10:09,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17/struc.xyz' 2025-08-31T10:10:09,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18/struc.xyz' 2025-08-31T10:10:09,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19/struc.xyz' 2025-08-31T10:10:09,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2/struc.xyz' 2025-08-31T10:10:09,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20/struc.xyz' 2025-08-31T10:10:09,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21/struc.xyz' 2025-08-31T10:10:09,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22/struc.xyz' 2025-08-31T10:10:09,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23/struc.xyz' 2025-08-31T10:10:09,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24/struc.xyz' 2025-08-31T10:10:09,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25/struc.xyz' 2025-08-31T10:10:09,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26/struc.xyz' 2025-08-31T10:10:09,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27/struc.xyz' 2025-08-31T10:10:09,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28/struc.xyz' 2025-08-31T10:10:09,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29/struc.xyz' 2025-08-31T10:10:09,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3/struc.xyz' 2025-08-31T10:10:09,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30/struc.xyz' 2025-08-31T10:10:09,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31/struc.xyz' 2025-08-31T10:10:09,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32/struc.xyz' 2025-08-31T10:10:09,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33/struc.xyz' 2025-08-31T10:10:09,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34/struc.xyz' 2025-08-31T10:10:09,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35/struc.xyz' 2025-08-31T10:10:09,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36/struc.xyz' 2025-08-31T10:10:09,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37/struc.xyz' 2025-08-31T10:10:09,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38/struc.xyz' 2025-08-31T10:10:09,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39/struc.xyz' 2025-08-31T10:10:09,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4/struc.xyz' 2025-08-31T10:10:09,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40/struc.xyz' 2025-08-31T10:10:09,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41/struc.xyz' 2025-08-31T10:10:09,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42/struc.xyz' 2025-08-31T10:10:09,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43/struc.xyz' 2025-08-31T10:10:09,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44/struc.xyz' 2025-08-31T10:10:09,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45/struc.xyz' 2025-08-31T10:10:09,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46/struc.xyz' 2025-08-31T10:10:09,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47/struc.xyz' 2025-08-31T10:10:09,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48/struc.xyz' 2025-08-31T10:10:09,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49/struc.xyz' 2025-08-31T10:10:09,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5/struc.xyz' 2025-08-31T10:10:09,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50/struc.xyz' 2025-08-31T10:10:09,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51/struc.xyz' 2025-08-31T10:10:09,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52/struc.xyz' 2025-08-31T10:10:09,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6/struc.xyz' 2025-08-31T10:10:09,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7/struc.xyz' 2025-08-31T10:10:09,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8/struc.xyz' 2025-08-31T10:10:09,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9/struc.xyz' 2025-08-31T10:10:09,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3/struc.xyz' 2025-08-31T10:10:09,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz' 2025-08-31T10:10:09,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3/struc.xyz' 2025-08-31T10:10:09,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3/struc.xyz' 2025-08-31T10:10:09,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3/struc.xyz' 2025-08-31T10:10:09,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3/struc.xyz' 2025-08-31T10:10:09,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2/struc.xyz' 2025-08-31T10:10:09,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl/struc.xyz' 2025-08-31T10:10:09,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F/struc.xyz' 2025-08-31T10:10:09,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H/struc.xyz' 2025-08-31T10:10:09,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3/struc.xyz' 2025-08-31T10:10:09,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3/struc.xyz' 2025-08-31T10:10:09,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3/struc.xyz' 2025-08-31T10:10:09,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz/struc.xyz' 2025-08-31T10:10:09,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut/struc.xyz' 2025-08-31T10:10:09,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch/struc.xyz' 2025-08-31T10:10:09,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2/struc.xyz' 2025-08-31T10:10:09,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh/struc.xyz' 2025-08-31T10:10:09,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2/struc.xyz' 2025-08-31T10:10:09,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3/struc.xyz' 2025-08-31T10:10:09,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3/struc.xyz' 2025-08-31T10:10:09,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A/struc.xyz' 2025-08-31T10:10:09,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap/struc.xyz' 2025-08-31T10:10:09,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C/struc.xyz' 2025-08-31T10:10:09,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp/struc.xyz' 2025-08-31T10:10:09,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G/struc.xyz' 2025-08-31T10:10:09,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp/struc.xyz' 2025-08-31T10:10:09,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T/struc.xyz' 2025-08-31T10:10:09,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp/struc.xyz' 2025-08-31T10:10:09,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass/struc.xyz' 2025-08-31T10:10:09,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp/struc.xyz' 2025-08-31T10:10:09,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6/struc.xyz' 2025-08-31T10:10:09,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p/struc.xyz' 2025-08-31T10:10:09,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2/struc.xyz' 2025-08-31T10:10:09,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p/struc.xyz' 2025-08-31T10:10:09,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s/struc.xyz' 2025-08-31T10:10:09,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp/struc.xyz' 2025-08-31T10:10:09,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh/struc.xyz' 2025-08-31T10:10:09,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp/struc.xyz' 2025-08-31T10:10:09,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys/struc.xyz' 2025-08-31T10:10:09,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp/struc.xyz' 2025-08-31T10:10:09,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol/struc.xyz' 2025-08-31T10:10:09,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp/struc.xyz' 2025-08-31T10:10:09,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly/struc.xyz' 2025-08-31T10:10:09,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp/struc.xyz' 2025-08-31T10:10:09,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2/struc.xyz' 2025-08-31T10:10:09,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o/struc.xyz' 2025-08-31T10:10:09,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op/struc.xyz' 2025-08-31T10:10:09,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p/struc.xyz' 2025-08-31T10:10:09,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s/struc.xyz' 2025-08-31T10:10:09,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp/struc.xyz' 2025-08-31T10:10:09,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl/struc.xyz' 2025-08-31T10:10:09,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp/struc.xyz' 2025-08-31T10:10:09,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3/struc.xyz' 2025-08-31T10:10:09,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p/struc.xyz' 2025-08-31T10:10:09,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2/struc.xyz' 2025-08-31T10:10:10,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p/struc.xyz' 2025-08-31T10:10:10,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4/struc.xyz' 2025-08-31T10:10:10,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p/struc.xyz' 2025-08-31T10:10:10,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6/struc.xyz' 2025-08-31T10:10:10,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p/struc.xyz' 2025-08-31T10:10:10,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8/struc.xyz' 2025-08-31T10:10:10,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p/struc.xyz' 2025-08-31T10:10:10,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3/struc.xyz' 2025-08-31T10:10:10,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p/struc.xyz' 2025-08-31T10:10:10,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol/struc.xyz' 2025-08-31T10:10:10,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp/struc.xyz' 2025-08-31T10:10:10,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol/struc.xyz' 2025-08-31T10:10:10,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp/struc.xyz' 2025-08-31T10:10:10,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6/struc.xyz' 2025-08-31T10:10:10,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p/struc.xyz' 2025-08-31T10:10:10,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4/struc.xyz' 2025-08-31T10:10:10,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p/struc.xyz' 2025-08-31T10:10:10,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0/struc.xyz' 2025-08-31T10:10:10,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1/struc.xyz' 2025-08-31T10:10:10,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2/struc.xyz' 2025-08-31T10:10:10,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0/struc.xyz' 2025-08-31T10:10:10,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1/struc.xyz' 2025-08-31T10:10:10,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2/struc.xyz' 2025-08-31T10:10:10,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3/struc.xyz' 2025-08-31T10:10:10,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1/struc.xyz' 2025-08-31T10:10:10,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2/struc.xyz' 2025-08-31T10:10:10,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3/struc.xyz' 2025-08-31T10:10:10,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0/struc.xyz' 2025-08-31T10:10:10,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2/struc.xyz' 2025-08-31T10:10:10,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41/struc.xyz' 2025-08-31T10:10:10,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42/struc.xyz' 2025-08-31T10:10:10,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43/struc.xyz' 2025-08-31T10:10:10,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41/struc.xyz' 2025-08-31T10:10:10,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42/struc.xyz' 2025-08-31T10:10:10,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71/struc.xyz' 2025-08-31T10:10:10,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72/struc.xyz' 2025-08-31T10:10:10,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71/struc.xyz' 2025-08-31T10:10:10,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72/struc.xyz' 2025-08-31T10:10:10,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0/struc.xyz' 2025-08-31T10:10:10,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1/struc.xyz' 2025-08-31T10:10:10,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2/struc.xyz' 2025-08-31T10:10:10,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3/struc.xyz' 2025-08-31T10:10:10,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41/struc.xyz' 2025-08-31T10:10:10,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42/struc.xyz' 2025-08-31T10:10:10,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0/struc.xyz' 2025-08-31T10:10:10,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2/struc.xyz' 2025-08-31T10:10:10,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3/struc.xyz' 2025-08-31T10:10:10,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4/struc.xyz' 2025-08-31T10:10:10,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114/struc.xyz' 2025-08-31T10:10:10,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215/struc.xyz' 2025-08-31T10:10:10,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224/struc.xyz' 2025-08-31T10:10:10,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300/struc.xyz' 2025-08-31T10:10:10,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357/struc.xyz' 2025-08-31T10:10:10,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366/struc.xyz' 2025-08-31T10:10:10,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412/struc.xyz' 2025-08-31T10:10:10,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444/struc.xyz' 2025-08-31T10:10:10,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470/struc.xyz' 2025-08-31T10:10:10,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691/struc.xyz' 2025-08-31T10:10:10,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99/struc.xyz' 2025-08-31T10:10:10,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL/struc.xyz' 2025-08-31T10:10:10,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR/struc.xyz' 2025-08-31T10:10:10,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab/struc.xyz' 2025-08-31T10:10:10,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b/struc.xyz' 2025-08-31T10:10:10,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII/struc.xyz' 2025-08-31T10:10:10,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL/struc.xyz' 2025-08-31T10:10:10,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR/struc.xyz' 2025-08-31T10:10:10,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab/struc.xyz' 2025-08-31T10:10:10,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b/struc.xyz' 2025-08-31T10:10:10,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII/struc.xyz' 2025-08-31T10:10:10,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1/struc.xyz' 2025-08-31T10:10:10,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10/struc.xyz' 2025-08-31T10:10:10,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a/struc.xyz' 2025-08-31T10:10:10,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b/struc.xyz' 2025-08-31T10:10:10,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11/struc.xyz' 2025-08-31T10:10:10,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a/struc.xyz' 2025-08-31T10:10:10,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b/struc.xyz' 2025-08-31T10:10:10,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12/struc.xyz' 2025-08-31T10:10:10,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a/struc.xyz' 2025-08-31T10:10:10,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b/struc.xyz' 2025-08-31T10:10:10,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13/struc.xyz' 2025-08-31T10:10:10,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a/struc.xyz' 2025-08-31T10:10:10,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b/struc.xyz' 2025-08-31T10:10:10,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14/struc.xyz' 2025-08-31T10:10:10,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a/struc.xyz' 2025-08-31T10:10:10,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b/struc.xyz' 2025-08-31T10:10:10,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15/struc.xyz' 2025-08-31T10:10:10,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a/struc.xyz' 2025-08-31T10:10:10,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b/struc.xyz' 2025-08-31T10:10:10,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16/struc.xyz' 2025-08-31T10:10:10,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a/struc.xyz' 2025-08-31T10:10:10,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b/struc.xyz' 2025-08-31T10:10:10,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17/struc.xyz' 2025-08-31T10:10:10,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a/struc.xyz' 2025-08-31T10:10:10,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b/struc.xyz' 2025-08-31T10:10:10,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18/struc.xyz' 2025-08-31T10:10:10,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a/struc.xyz' 2025-08-31T10:10:10,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b/struc.xyz' 2025-08-31T10:10:10,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19/struc.xyz' 2025-08-31T10:10:10,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a/struc.xyz' 2025-08-31T10:10:10,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b/struc.xyz' 2025-08-31T10:10:10,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a/struc.xyz' 2025-08-31T10:10:10,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b/struc.xyz' 2025-08-31T10:10:10,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2/struc.xyz' 2025-08-31T10:10:10,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20/struc.xyz' 2025-08-31T10:10:10,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a/struc.xyz' 2025-08-31T10:10:10,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b/struc.xyz' 2025-08-31T10:10:10,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21/struc.xyz' 2025-08-31T10:10:10,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a/struc.xyz' 2025-08-31T10:10:10,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b/struc.xyz' 2025-08-31T10:10:10,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22/struc.xyz' 2025-08-31T10:10:10,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a/struc.xyz' 2025-08-31T10:10:10,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b/struc.xyz' 2025-08-31T10:10:10,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23/struc.xyz' 2025-08-31T10:10:10,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a/struc.xyz' 2025-08-31T10:10:10,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b/struc.xyz' 2025-08-31T10:10:10,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a/struc.xyz' 2025-08-31T10:10:10,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b/struc.xyz' 2025-08-31T10:10:10,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3/struc.xyz' 2025-08-31T10:10:10,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a/struc.xyz' 2025-08-31T10:10:10,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b/struc.xyz' 2025-08-31T10:10:10,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4/struc.xyz' 2025-08-31T10:10:10,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a/struc.xyz' 2025-08-31T10:10:10,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b/struc.xyz' 2025-08-31T10:10:10,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5/struc.xyz' 2025-08-31T10:10:10,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a/struc.xyz' 2025-08-31T10:10:10,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b/struc.xyz' 2025-08-31T10:10:10,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6/struc.xyz' 2025-08-31T10:10:10,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a/struc.xyz' 2025-08-31T10:10:10,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b/struc.xyz' 2025-08-31T10:10:10,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7/struc.xyz' 2025-08-31T10:10:10,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a/struc.xyz' 2025-08-31T10:10:10,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b/struc.xyz' 2025-08-31T10:10:10,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8/struc.xyz' 2025-08-31T10:10:10,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a/struc.xyz' 2025-08-31T10:10:10,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b/struc.xyz' 2025-08-31T10:10:10,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9/struc.xyz' 2025-08-31T10:10:10,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a/struc.xyz' 2025-08-31T10:10:10,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b/struc.xyz' 2025-08-31T10:10:10,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o/struc.xyz' 2025-08-31T10:10:10,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2/struc.xyz' 2025-08-31T10:10:10,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts/struc.xyz' 2025-08-31T10:10:10,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3/struc.xyz' 2025-08-31T10:10:10,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts/struc.xyz' 2025-08-31T10:10:10,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4/struc.xyz' 2025-08-31T10:10:10,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts/struc.xyz' 2025-08-31T10:10:10,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5/struc.xyz' 2025-08-31T10:10:10,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts/struc.xyz' 2025-08-31T10:10:10,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6/struc.xyz' 2025-08-31T10:10:10,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts/struc.xyz' 2025-08-31T10:10:10,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf/struc.xyz' 2025-08-31T10:10:10,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2/struc.xyz' 2025-08-31T10:10:10,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts/struc.xyz' 2025-08-31T10:10:10,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3/struc.xyz' 2025-08-31T10:10:10,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts/struc.xyz' 2025-08-31T10:10:10,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4/struc.xyz' 2025-08-31T10:10:10,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts/struc.xyz' 2025-08-31T10:10:10,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5/struc.xyz' 2025-08-31T10:10:10,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts/struc.xyz' 2025-08-31T10:10:10,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6/struc.xyz' 2025-08-31T10:10:10,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts/struc.xyz' 2025-08-31T10:10:10,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3/struc.xyz' 2025-08-31T10:10:10,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2/struc.xyz' 2025-08-31T10:10:10,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts/struc.xyz' 2025-08-31T10:10:10,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3/struc.xyz' 2025-08-31T10:10:10,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts/struc.xyz' 2025-08-31T10:10:10,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4/struc.xyz' 2025-08-31T10:10:10,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts/struc.xyz' 2025-08-31T10:10:10,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e/struc.xyz' 2025-08-31T10:10:10,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1/struc.xyz' 2025-08-31T10:10:10,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2/struc.xyz' 2025-08-31T10:10:10,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e/struc.xyz' 2025-08-31T10:10:10,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1/struc.xyz' 2025-08-31T10:10:10,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2/struc.xyz' 2025-08-31T10:10:10,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3/struc.xyz' 2025-08-31T10:10:10,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e/struc.xyz' 2025-08-31T10:10:10,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1/struc.xyz' 2025-08-31T10:10:10,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2/struc.xyz' 2025-08-31T10:10:10,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3/struc.xyz' 2025-08-31T10:10:10,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e/struc.xyz' 2025-08-31T10:10:10,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1/struc.xyz' 2025-08-31T10:10:10,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2/struc.xyz' 2025-08-31T10:10:10,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3/struc.xyz' 2025-08-31T10:10:10,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1/struc.xyz' 2025-08-31T10:10:10,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2/struc.xyz' 2025-08-31T10:10:10,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3/struc.xyz' 2025-08-31T10:10:10,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e/struc.xyz' 2025-08-31T10:10:10,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p/struc.xyz' 2025-08-31T10:10:10,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e/struc.xyz' 2025-08-31T10:10:10,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p/struc.xyz' 2025-08-31T10:10:10,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e/struc.xyz' 2025-08-31T10:10:10,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int/struc.xyz' 2025-08-31T10:10:10,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1/struc.xyz' 2025-08-31T10:10:10,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3/struc.xyz' 2025-08-31T10:10:10,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e/struc.xyz' 2025-08-31T10:10:10,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1/struc.xyz' 2025-08-31T10:10:10,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2/struc.xyz' 2025-08-31T10:10:10,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3/struc.xyz' 2025-08-31T10:10:10,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4/struc.xyz' 2025-08-31T10:10:10,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5/struc.xyz' 2025-08-31T10:10:10,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6/struc.xyz' 2025-08-31T10:10:10,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e/struc.xyz' 2025-08-31T10:10:10,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1/struc.xyz' 2025-08-31T10:10:10,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e/struc.xyz' 2025-08-31T10:10:10,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1/struc.xyz' 2025-08-31T10:10:10,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2/struc.xyz' 2025-08-31T10:10:10,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene/struc.xyz' 2025-08-31T10:10:10,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me/struc.xyz' 2025-08-31T10:10:10,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr/struc.xyz' 2025-08-31T10:10:10,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar/struc.xyz' 2025-08-31T10:10:10,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2/struc.xyz' 2025-08-31T10:10:10,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3/struc.xyz' 2025-08-31T10:10:10,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4/struc.xyz' 2025-08-31T10:10:10,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz/struc.xyz' 2025-08-31T10:10:10,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr/struc.xyz' 2025-08-31T10:10:10,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe/struc.xyz' 2025-08-31T10:10:10,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2/struc.xyz' 2025-08-31T10:10:10,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar/struc.xyz' 2025-08-31T10:10:10,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne/struc.xyz' 2025-08-31T10:10:10,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6/struc.xyz' 2025-08-31T10:10:10,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar/struc.xyz' 2025-08-31T10:10:10,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne/struc.xyz' 2025-08-31T10:10:10,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf/struc.xyz' 2025-08-31T10:10:10,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr/struc.xyz' 2025-08-31T10:10:10,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr/struc.xyz' 2025-08-31T10:10:10,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe/struc.xyz' 2025-08-31T10:10:10,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr/struc.xyz' 2025-08-31T10:10:10,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2/struc.xyz' 2025-08-31T10:10:10,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3/struc.xyz' 2025-08-31T10:10:10,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne/struc.xyz' 2025-08-31T10:10:10,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2/struc.xyz' 2025-08-31T10:10:10,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3/struc.xyz' 2025-08-31T10:10:10,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4/struc.xyz' 2025-08-31T10:10:10,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6/struc.xyz' 2025-08-31T10:10:10,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1/struc.xyz' 2025-08-31T10:10:10,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10/struc.xyz' 2025-08-31T10:10:10,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11/struc.xyz' 2025-08-31T10:10:10,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12/struc.xyz' 2025-08-31T10:10:10,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13/struc.xyz' 2025-08-31T10:10:10,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15/struc.xyz' 2025-08-31T10:10:10,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16/struc.xyz' 2025-08-31T10:10:10,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17/struc.xyz' 2025-08-31T10:10:10,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18/struc.xyz' 2025-08-31T10:10:10,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19/struc.xyz' 2025-08-31T10:10:10,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2/struc.xyz' 2025-08-31T10:10:10,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20/struc.xyz' 2025-08-31T10:10:10,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21/struc.xyz' 2025-08-31T10:10:10,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22/struc.xyz' 2025-08-31T10:10:10,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23/struc.xyz' 2025-08-31T10:10:10,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24/struc.xyz' 2025-08-31T10:10:10,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25/struc.xyz' 2025-08-31T10:10:10,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26/struc.xyz' 2025-08-31T10:10:10,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27/struc.xyz' 2025-08-31T10:10:10,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28/struc.xyz' 2025-08-31T10:10:10,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29/struc.xyz' 2025-08-31T10:10:10,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3/struc.xyz' 2025-08-31T10:10:10,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30/struc.xyz' 2025-08-31T10:10:10,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31/struc.xyz' 2025-08-31T10:10:10,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32/struc.xyz' 2025-08-31T10:10:10,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33/struc.xyz' 2025-08-31T10:10:10,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34/struc.xyz' 2025-08-31T10:10:10,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35/struc.xyz' 2025-08-31T10:10:10,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36/struc.xyz' 2025-08-31T10:10:10,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37/struc.xyz' 2025-08-31T10:10:10,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38/struc.xyz' 2025-08-31T10:10:10,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39/struc.xyz' 2025-08-31T10:10:10,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4/struc.xyz' 2025-08-31T10:10:10,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40/struc.xyz' 2025-08-31T10:10:10,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41/struc.xyz' 2025-08-31T10:10:10,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42/struc.xyz' 2025-08-31T10:10:10,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43/struc.xyz' 2025-08-31T10:10:10,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44/struc.xyz' 2025-08-31T10:10:10,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45/struc.xyz' 2025-08-31T10:10:10,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5/struc.xyz' 2025-08-31T10:10:10,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6/struc.xyz' 2025-08-31T10:10:10,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7/struc.xyz' 2025-08-31T10:10:10,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8/struc.xyz' 2025-08-31T10:10:10,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9/struc.xyz' 2025-08-31T10:10:10,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1/struc.xyz' 2025-08-31T10:10:10,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10/struc.xyz' 2025-08-31T10:10:10,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11/struc.xyz' 2025-08-31T10:10:10,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12/struc.xyz' 2025-08-31T10:10:10,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13/struc.xyz' 2025-08-31T10:10:10,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15/struc.xyz' 2025-08-31T10:10:10,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16/struc.xyz' 2025-08-31T10:10:10,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17/struc.xyz' 2025-08-31T10:10:10,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18/struc.xyz' 2025-08-31T10:10:10,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19/struc.xyz' 2025-08-31T10:10:10,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2/struc.xyz' 2025-08-31T10:10:10,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20/struc.xyz' 2025-08-31T10:10:10,479 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21/struc.xyz' 2025-08-31T10:10:10,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22/struc.xyz' 2025-08-31T10:10:10,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23/struc.xyz' 2025-08-31T10:10:10,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24/struc.xyz' 2025-08-31T10:10:10,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25/struc.xyz' 2025-08-31T10:10:10,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26/struc.xyz' 2025-08-31T10:10:10,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27/struc.xyz' 2025-08-31T10:10:10,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28/struc.xyz' 2025-08-31T10:10:10,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29/struc.xyz' 2025-08-31T10:10:10,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3/struc.xyz' 2025-08-31T10:10:10,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30/struc.xyz' 2025-08-31T10:10:10,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31/struc.xyz' 2025-08-31T10:10:10,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32/struc.xyz' 2025-08-31T10:10:10,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33/struc.xyz' 2025-08-31T10:10:10,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34/struc.xyz' 2025-08-31T10:10:10,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35/struc.xyz' 2025-08-31T10:10:10,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36/struc.xyz' 2025-08-31T10:10:10,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37/struc.xyz' 2025-08-31T10:10:10,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38/struc.xyz' 2025-08-31T10:10:10,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39/struc.xyz' 2025-08-31T10:10:10,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4/struc.xyz' 2025-08-31T10:10:10,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40/struc.xyz' 2025-08-31T10:10:10,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41/struc.xyz' 2025-08-31T10:10:10,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42/struc.xyz' 2025-08-31T10:10:10,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43/struc.xyz' 2025-08-31T10:10:10,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44/struc.xyz' 2025-08-31T10:10:10,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45/struc.xyz' 2025-08-31T10:10:10,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5/struc.xyz' 2025-08-31T10:10:10,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6/struc.xyz' 2025-08-31T10:10:10,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7/struc.xyz' 2025-08-31T10:10:10,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8/struc.xyz' 2025-08-31T10:10:10,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9/struc.xyz' 2025-08-31T10:10:10,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01/struc.xyz' 2025-08-31T10:10:10,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a/struc.xyz' 2025-08-31T10:10:10,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02/struc.xyz' 2025-08-31T10:10:10,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a/struc.xyz' 2025-08-31T10:10:10,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b/struc.xyz' 2025-08-31T10:10:10,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03/struc.xyz' 2025-08-31T10:10:10,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a/struc.xyz' 2025-08-31T10:10:10,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04/struc.xyz' 2025-08-31T10:10:10,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a/struc.xyz' 2025-08-31T10:10:10,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05/struc.xyz' 2025-08-31T10:10:10,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a/struc.xyz' 2025-08-31T10:10:10,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06/struc.xyz' 2025-08-31T10:10:10,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a/struc.xyz' 2025-08-31T10:10:10,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b/struc.xyz' 2025-08-31T10:10:10,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07/struc.xyz' 2025-08-31T10:10:10,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a/struc.xyz' 2025-08-31T10:10:10,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b/struc.xyz' 2025-08-31T10:10:10,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08/struc.xyz' 2025-08-31T10:10:10,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a/struc.xyz' 2025-08-31T10:10:10,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09/struc.xyz' 2025-08-31T10:10:10,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a/struc.xyz' 2025-08-31T10:10:10,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10/struc.xyz' 2025-08-31T10:10:10,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a/struc.xyz' 2025-08-31T10:10:10,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b/struc.xyz' 2025-08-31T10:10:10,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11/struc.xyz' 2025-08-31T10:10:10,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a/struc.xyz' 2025-08-31T10:10:10,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12/struc.xyz' 2025-08-31T10:10:10,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a/struc.xyz' 2025-08-31T10:10:10,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13/struc.xyz' 2025-08-31T10:10:10,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a/struc.xyz' 2025-08-31T10:10:10,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14/struc.xyz' 2025-08-31T10:10:10,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a/struc.xyz' 2025-08-31T10:10:10,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b/struc.xyz' 2025-08-31T10:10:10,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15/struc.xyz' 2025-08-31T10:10:10,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a/struc.xyz' 2025-08-31T10:10:10,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b/struc.xyz' 2025-08-31T10:10:10,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16/struc.xyz' 2025-08-31T10:10:10,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a/struc.xyz' 2025-08-31T10:10:10,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b/struc.xyz' 2025-08-31T10:10:10,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17/struc.xyz' 2025-08-31T10:10:10,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a/struc.xyz' 2025-08-31T10:10:10,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b/struc.xyz' 2025-08-31T10:10:10,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18/struc.xyz' 2025-08-31T10:10:10,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a/struc.xyz' 2025-08-31T10:10:10,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b/struc.xyz' 2025-08-31T10:10:10,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19/struc.xyz' 2025-08-31T10:10:10,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a/struc.xyz' 2025-08-31T10:10:10,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b/struc.xyz' 2025-08-31T10:10:10,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20/struc.xyz' 2025-08-31T10:10:10,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a/struc.xyz' 2025-08-31T10:10:10,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b/struc.xyz' 2025-08-31T10:10:10,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21/struc.xyz' 2025-08-31T10:10:10,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a/struc.xyz' 2025-08-31T10:10:10,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b/struc.xyz' 2025-08-31T10:10:10,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22/struc.xyz' 2025-08-31T10:10:10,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a/struc.xyz' 2025-08-31T10:10:10,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b/struc.xyz' 2025-08-31T10:10:10,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01/struc.xyz' 2025-08-31T10:10:10,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A/struc.xyz' 2025-08-31T10:10:10,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B/struc.xyz' 2025-08-31T10:10:10,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02/struc.xyz' 2025-08-31T10:10:10,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A/struc.xyz' 2025-08-31T10:10:10,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B/struc.xyz' 2025-08-31T10:10:10,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03/struc.xyz' 2025-08-31T10:10:10,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A/struc.xyz' 2025-08-31T10:10:10,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B/struc.xyz' 2025-08-31T10:10:10,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04/struc.xyz' 2025-08-31T10:10:10,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A/struc.xyz' 2025-08-31T10:10:10,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B/struc.xyz' 2025-08-31T10:10:10,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05/struc.xyz' 2025-08-31T10:10:10,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A/struc.xyz' 2025-08-31T10:10:10,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B/struc.xyz' 2025-08-31T10:10:10,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06/struc.xyz' 2025-08-31T10:10:10,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A/struc.xyz' 2025-08-31T10:10:10,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B/struc.xyz' 2025-08-31T10:10:10,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07/struc.xyz' 2025-08-31T10:10:10,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A/struc.xyz' 2025-08-31T10:10:10,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B/struc.xyz' 2025-08-31T10:10:10,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08/struc.xyz' 2025-08-31T10:10:10,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A/struc.xyz' 2025-08-31T10:10:10,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B/struc.xyz' 2025-08-31T10:10:10,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09/struc.xyz' 2025-08-31T10:10:10,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A/struc.xyz' 2025-08-31T10:10:10,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B/struc.xyz' 2025-08-31T10:10:10,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10/struc.xyz' 2025-08-31T10:10:10,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A/struc.xyz' 2025-08-31T10:10:10,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B/struc.xyz' 2025-08-31T10:10:10,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11/struc.xyz' 2025-08-31T10:10:10,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A/struc.xyz' 2025-08-31T10:10:10,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B/struc.xyz' 2025-08-31T10:10:10,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12/struc.xyz' 2025-08-31T10:10:10,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A/struc.xyz' 2025-08-31T10:10:10,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B/struc.xyz' 2025-08-31T10:10:10,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13/struc.xyz' 2025-08-31T10:10:10,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A/struc.xyz' 2025-08-31T10:10:10,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B/struc.xyz' 2025-08-31T10:10:10,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14/struc.xyz' 2025-08-31T10:10:10,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A/struc.xyz' 2025-08-31T10:10:10,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B/struc.xyz' 2025-08-31T10:10:10,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15/struc.xyz' 2025-08-31T10:10:10,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A/struc.xyz' 2025-08-31T10:10:10,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B/struc.xyz' 2025-08-31T10:10:10,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16/struc.xyz' 2025-08-31T10:10:10,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A/struc.xyz' 2025-08-31T10:10:10,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B/struc.xyz' 2025-08-31T10:10:10,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17/struc.xyz' 2025-08-31T10:10:10,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A/struc.xyz' 2025-08-31T10:10:10,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B/struc.xyz' 2025-08-31T10:10:10,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18/struc.xyz' 2025-08-31T10:10:10,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A/struc.xyz' 2025-08-31T10:10:10,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B/struc.xyz' 2025-08-31T10:10:10,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19/struc.xyz' 2025-08-31T10:10:10,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A/struc.xyz' 2025-08-31T10:10:10,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B/struc.xyz' 2025-08-31T10:10:10,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20/struc.xyz' 2025-08-31T10:10:10,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A/struc.xyz' 2025-08-31T10:10:10,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B/struc.xyz' 2025-08-31T10:10:10,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21/struc.xyz' 2025-08-31T10:10:10,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A/struc.xyz' 2025-08-31T10:10:10,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B/struc.xyz' 2025-08-31T10:10:10,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22/struc.xyz' 2025-08-31T10:10:10,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A/struc.xyz' 2025-08-31T10:10:10,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B/struc.xyz' 2025-08-31T10:10:10,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23/struc.xyz' 2025-08-31T10:10:10,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A/struc.xyz' 2025-08-31T10:10:10,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B/struc.xyz' 2025-08-31T10:10:10,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24/struc.xyz' 2025-08-31T10:10:10,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A/struc.xyz' 2025-08-31T10:10:10,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B/struc.xyz' 2025-08-31T10:10:10,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25/struc.xyz' 2025-08-31T10:10:10,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A/struc.xyz' 2025-08-31T10:10:10,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B/struc.xyz' 2025-08-31T10:10:10,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26/struc.xyz' 2025-08-31T10:10:10,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A/struc.xyz' 2025-08-31T10:10:10,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B/struc.xyz' 2025-08-31T10:10:10,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27/struc.xyz' 2025-08-31T10:10:10,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A/struc.xyz' 2025-08-31T10:10:10,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B/struc.xyz' 2025-08-31T10:10:10,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28/struc.xyz' 2025-08-31T10:10:10,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A/struc.xyz' 2025-08-31T10:10:10,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B/struc.xyz' 2025-08-31T10:10:10,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29/struc.xyz' 2025-08-31T10:10:10,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A/struc.xyz' 2025-08-31T10:10:10,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B/struc.xyz' 2025-08-31T10:10:10,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30/struc.xyz' 2025-08-31T10:10:10,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A/struc.xyz' 2025-08-31T10:10:10,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B/struc.xyz' 2025-08-31T10:10:10,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31/struc.xyz' 2025-08-31T10:10:10,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A/struc.xyz' 2025-08-31T10:10:10,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B/struc.xyz' 2025-08-31T10:10:10,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32/struc.xyz' 2025-08-31T10:10:10,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A/struc.xyz' 2025-08-31T10:10:10,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B/struc.xyz' 2025-08-31T10:10:10,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33/struc.xyz' 2025-08-31T10:10:10,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A/struc.xyz' 2025-08-31T10:10:10,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B/struc.xyz' 2025-08-31T10:10:10,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34/struc.xyz' 2025-08-31T10:10:10,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A/struc.xyz' 2025-08-31T10:10:10,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B/struc.xyz' 2025-08-31T10:10:10,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35/struc.xyz' 2025-08-31T10:10:10,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A/struc.xyz' 2025-08-31T10:10:10,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B/struc.xyz' 2025-08-31T10:10:10,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36/struc.xyz' 2025-08-31T10:10:10,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A/struc.xyz' 2025-08-31T10:10:10,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B/struc.xyz' 2025-08-31T10:10:10,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37/struc.xyz' 2025-08-31T10:10:10,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A/struc.xyz' 2025-08-31T10:10:10,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B/struc.xyz' 2025-08-31T10:10:10,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38/struc.xyz' 2025-08-31T10:10:10,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A/struc.xyz' 2025-08-31T10:10:10,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B/struc.xyz' 2025-08-31T10:10:10,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39/struc.xyz' 2025-08-31T10:10:10,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A/struc.xyz' 2025-08-31T10:10:10,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B/struc.xyz' 2025-08-31T10:10:10,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40/struc.xyz' 2025-08-31T10:10:10,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A/struc.xyz' 2025-08-31T10:10:10,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B/struc.xyz' 2025-08-31T10:10:10,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41/struc.xyz' 2025-08-31T10:10:10,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A/struc.xyz' 2025-08-31T10:10:10,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B/struc.xyz' 2025-08-31T10:10:10,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42/struc.xyz' 2025-08-31T10:10:10,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A/struc.xyz' 2025-08-31T10:10:10,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B/struc.xyz' 2025-08-31T10:10:10,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43/struc.xyz' 2025-08-31T10:10:10,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A/struc.xyz' 2025-08-31T10:10:10,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B/struc.xyz' 2025-08-31T10:10:10,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44/struc.xyz' 2025-08-31T10:10:10,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A/struc.xyz' 2025-08-31T10:10:10,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B/struc.xyz' 2025-08-31T10:10:10,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45/struc.xyz' 2025-08-31T10:10:10,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A/struc.xyz' 2025-08-31T10:10:10,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B/struc.xyz' 2025-08-31T10:10:10,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46/struc.xyz' 2025-08-31T10:10:10,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A/struc.xyz' 2025-08-31T10:10:10,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B/struc.xyz' 2025-08-31T10:10:10,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47/struc.xyz' 2025-08-31T10:10:10,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A/struc.xyz' 2025-08-31T10:10:10,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B/struc.xyz' 2025-08-31T10:10:10,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48/struc.xyz' 2025-08-31T10:10:10,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A/struc.xyz' 2025-08-31T10:10:10,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B/struc.xyz' 2025-08-31T10:10:10,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49/struc.xyz' 2025-08-31T10:10:10,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A/struc.xyz' 2025-08-31T10:10:10,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B/struc.xyz' 2025-08-31T10:10:10,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50/struc.xyz' 2025-08-31T10:10:10,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A/struc.xyz' 2025-08-31T10:10:10,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B/struc.xyz' 2025-08-31T10:10:10,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51/struc.xyz' 2025-08-31T10:10:10,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A/struc.xyz' 2025-08-31T10:10:10,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B/struc.xyz' 2025-08-31T10:10:10,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52/struc.xyz' 2025-08-31T10:10:10,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A/struc.xyz' 2025-08-31T10:10:10,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B/struc.xyz' 2025-08-31T10:10:10,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53/struc.xyz' 2025-08-31T10:10:10,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A/struc.xyz' 2025-08-31T10:10:10,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B/struc.xyz' 2025-08-31T10:10:10,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54/struc.xyz' 2025-08-31T10:10:10,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A/struc.xyz' 2025-08-31T10:10:10,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B/struc.xyz' 2025-08-31T10:10:10,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55/struc.xyz' 2025-08-31T10:10:10,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A/struc.xyz' 2025-08-31T10:10:10,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B/struc.xyz' 2025-08-31T10:10:10,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56/struc.xyz' 2025-08-31T10:10:10,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A/struc.xyz' 2025-08-31T10:10:10,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B/struc.xyz' 2025-08-31T10:10:10,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57/struc.xyz' 2025-08-31T10:10:10,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A/struc.xyz' 2025-08-31T10:10:10,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B/struc.xyz' 2025-08-31T10:10:10,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58/struc.xyz' 2025-08-31T10:10:10,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A/struc.xyz' 2025-08-31T10:10:10,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B/struc.xyz' 2025-08-31T10:10:10,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59/struc.xyz' 2025-08-31T10:10:10,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A/struc.xyz' 2025-08-31T10:10:10,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B/struc.xyz' 2025-08-31T10:10:10,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60/struc.xyz' 2025-08-31T10:10:10,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A/struc.xyz' 2025-08-31T10:10:10,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B/struc.xyz' 2025-08-31T10:10:10,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61/struc.xyz' 2025-08-31T10:10:10,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A/struc.xyz' 2025-08-31T10:10:10,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B/struc.xyz' 2025-08-31T10:10:10,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62/struc.xyz' 2025-08-31T10:10:10,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A/struc.xyz' 2025-08-31T10:10:10,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B/struc.xyz' 2025-08-31T10:10:10,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63/struc.xyz' 2025-08-31T10:10:10,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A/struc.xyz' 2025-08-31T10:10:10,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B/struc.xyz' 2025-08-31T10:10:10,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64/struc.xyz' 2025-08-31T10:10:10,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A/struc.xyz' 2025-08-31T10:10:10,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B/struc.xyz' 2025-08-31T10:10:10,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65/struc.xyz' 2025-08-31T10:10:10,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A/struc.xyz' 2025-08-31T10:10:10,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B/struc.xyz' 2025-08-31T10:10:10,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66/struc.xyz' 2025-08-31T10:10:10,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A/struc.xyz' 2025-08-31T10:10:10,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B/struc.xyz' 2025-08-31T10:10:10,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1/struc.xyz' 2025-08-31T10:10:10,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10/struc.xyz' 2025-08-31T10:10:10,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11/struc.xyz' 2025-08-31T10:10:10,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12/struc.xyz' 2025-08-31T10:10:10,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13/struc.xyz' 2025-08-31T10:10:10,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14/struc.xyz' 2025-08-31T10:10:10,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15/struc.xyz' 2025-08-31T10:10:10,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2/struc.xyz' 2025-08-31T10:10:10,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3/struc.xyz' 2025-08-31T10:10:10,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4/struc.xyz' 2025-08-31T10:10:10,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5/struc.xyz' 2025-08-31T10:10:10,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6/struc.xyz' 2025-08-31T10:10:10,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7/struc.xyz' 2025-08-31T10:10:10,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8/struc.xyz' 2025-08-31T10:10:10,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9/struc.xyz' 2025-08-31T10:10:10,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1/struc.xyz' 2025-08-31T10:10:10,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2/struc.xyz' 2025-08-31T10:10:10,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3/struc.xyz' 2025-08-31T10:10:10,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4/struc.xyz' 2025-08-31T10:10:10,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h/struc.xyz' 2025-08-31T10:10:10,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz' 2025-08-31T10:10:10,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz' 2025-08-31T10:10:10,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz' 2025-08-31T10:10:10,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz' 2025-08-31T10:10:10,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o/struc.xyz' 2025-08-31T10:10:10,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+/struc.xyz' 2025-08-31T10:10:10,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz' 2025-08-31T10:10:10,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz' 2025-08-31T10:10:10,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz' 2025-08-31T10:10:11,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz' 2025-08-31T10:10:11,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he/struc.xyz' 2025-08-31T10:10:11,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+/struc.xyz' 2025-08-31T10:10:11,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz' 2025-08-31T10:10:11,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz' 2025-08-31T10:10:11,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz' 2025-08-31T10:10:11,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz' 2025-08-31T10:10:11,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3/struc.xyz' 2025-08-31T10:10:11,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+/struc.xyz' 2025-08-31T10:10:11,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz' 2025-08-31T10:10:11,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz' 2025-08-31T10:10:11,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz' 2025-08-31T10:10:11,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz' 2025-08-31T10:10:11,024 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1/struc.xyz' 2025-08-31T10:10:11,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13/struc.xyz' 2025-08-31T10:10:11,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A/struc.xyz' 2025-08-31T10:10:11,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B/struc.xyz' 2025-08-31T10:10:11,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18/struc.xyz' 2025-08-31T10:10:11,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A/struc.xyz' 2025-08-31T10:10:11,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B/struc.xyz' 2025-08-31T10:10:11,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2/struc.xyz' 2025-08-31T10:10:11,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20/struc.xyz' 2025-08-31T10:10:11,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24/struc.xyz' 2025-08-31T10:10:11,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A/struc.xyz' 2025-08-31T10:10:11,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25/struc.xyz' 2025-08-31T10:10:11,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A/struc.xyz' 2025-08-31T10:10:11,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B/struc.xyz' 2025-08-31T10:10:11,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34/struc.xyz' 2025-08-31T10:10:11,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39/struc.xyz' 2025-08-31T10:10:11,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4/struc.xyz' 2025-08-31T10:10:11,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40/struc.xyz' 2025-08-31T10:10:11,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43/struc.xyz' 2025-08-31T10:10:11,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45/struc.xyz' 2025-08-31T10:10:11,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47/struc.xyz' 2025-08-31T10:10:11,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48/struc.xyz' 2025-08-31T10:10:11,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A/struc.xyz' 2025-08-31T10:10:11,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B/struc.xyz' 2025-08-31T10:10:11,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5/struc.xyz' 2025-08-31T10:10:11,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58/struc.xyz' 2025-08-31T10:10:11,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59/struc.xyz' 2025-08-31T10:10:11,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A/struc.xyz' 2025-08-31T10:10:11,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B/struc.xyz' 2025-08-31T10:10:11,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6/struc.xyz' 2025-08-31T10:10:11,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68/struc.xyz' 2025-08-31T10:10:11,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A/struc.xyz' 2025-08-31T10:10:11,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B/struc.xyz' 2025-08-31T10:10:11,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73/struc.xyz' 2025-08-31T10:10:11,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8/struc.xyz' 2025-08-31T10:10:11,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A/struc.xyz' 2025-08-31T10:10:11,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B/struc.xyz' 2025-08-31T10:10:11,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a/struc.xyz' 2025-08-31T10:10:11,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b/struc.xyz' 2025-08-31T10:10:11,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr/struc.xyz' 2025-08-31T10:10:11,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz' 2025-08-31T10:10:11,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4/struc.xyz' 2025-08-31T10:10:11,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20/struc.xyz' 2025-08-31T10:10:11,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12/struc.xyz' 2025-08-31T10:10:11,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n/struc.xyz' 2025-08-31T10:10:11,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14/struc.xyz' 2025-08-31T10:10:11,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n/struc.xyz' 2025-08-31T10:10:11,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20/struc.xyz' 2025-08-31T10:10:11,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n/struc.xyz' 2025-08-31T10:10:11,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21/struc.xyz' 2025-08-31T10:10:11,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n/struc.xyz' 2025-08-31T10:10:11,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25/struc.xyz' 2025-08-31T10:10:11,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n/struc.xyz' 2025-08-31T10:10:11,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s/struc.xyz' 2025-08-31T10:10:11,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-/struc.xyz' 2025-08-31T10:10:11,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O/struc.xyz' 2025-08-31T10:10:11,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS/struc.xyz' 2025-08-31T10:10:11,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S/struc.xyz' 2025-08-31T10:10:11,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS/struc.xyz' 2025-08-31T10:10:11,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64/struc.xyz' 2025-08-31T10:10:11,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67/struc.xyz' 2025-08-31T10:10:11,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71/struc.xyz' 2025-08-31T10:10:11,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74/struc.xyz' 2025-08-31T10:10:11,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76/struc.xyz' 2025-08-31T10:10:11,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78/struc.xyz' 2025-08-31T10:10:11,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80/struc.xyz' 2025-08-31T10:10:11,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH/struc.xyz' 2025-08-31T10:10:11,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr/struc.xyz' 2025-08-31T10:10:11,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl/struc.xyz' 2025-08-31T10:10:11,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2/struc.xyz' 2025-08-31T10:10:11,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm/struc.xyz' 2025-08-31T10:10:11,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O/struc.xyz' 2025-08-31T10:10:11,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1/struc.xyz' 2025-08-31T10:10:11,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20/struc.xyz' 2025-08-31T10:10:11,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH/struc.xyz' 2025-08-31T10:10:11,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl/struc.xyz' 2025-08-31T10:10:11,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02/struc.xyz' 2025-08-31T10:10:11,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10/struc.xyz' 2025-08-31T10:10:11,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17/struc.xyz' 2025-08-31T10:10:11,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al/struc.xyz' 2025-08-31T10:10:11,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl/struc.xyz' 2025-08-31T10:10:11,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3/struc.xyz' 2025-08-31T10:10:11,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar/struc.xyz' 2025-08-31T10:10:11,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2/struc.xyz' 2025-08-31T10:10:11,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3/struc.xyz' 2025-08-31T10:10:11,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4/struc.xyz' 2025-08-31T10:10:11,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b/struc.xyz' 2025-08-31T10:10:11,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2/struc.xyz' 2025-08-31T10:10:11,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be/struc.xyz' 2025-08-31T10:10:11,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+/struc.xyz' 2025-08-31T10:10:11,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+/struc.xyz' 2025-08-31T10:10:11,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c/struc.xyz' 2025-08-31T10:10:11,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2/struc.xyz' 2025-08-31T10:10:11,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar/struc.xyz' 2025-08-31T10:10:11,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne/struc.xyz' 2025-08-31T10:10:11,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p/struc.xyz' 2025-08-31T10:10:11,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca/struc.xyz' 2025-08-31T10:10:11,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao/struc.xyz' 2025-08-31T10:10:11,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2/struc.xyz' 2025-08-31T10:10:11,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2/struc.xyz' 2025-08-31T10:10:11,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s/struc.xyz' 2025-08-31T10:10:11,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp/struc.xyz' 2025-08-31T10:10:11,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3/struc.xyz' 2025-08-31T10:10:11,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f/struc.xyz' 2025-08-31T10:10:11,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl/struc.xyz' 2025-08-31T10:10:11,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2/struc.xyz' 2025-08-31T10:10:11,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf/struc.xyz' 2025-08-31T10:10:11,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f/struc.xyz' 2025-08-31T10:10:11,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+/struc.xyz' 2025-08-31T10:10:11,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic/struc.xyz' 2025-08-31T10:10:11,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h/struc.xyz' 2025-08-31T10:10:11,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2/struc.xyz' 2025-08-31T10:10:11,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25/struc.xyz' 2025-08-31T10:10:11,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5/struc.xyz' 2025-08-31T10:10:11,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75/struc.xyz' 2025-08-31T10:10:11,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2/struc.xyz' 2025-08-31T10:10:11,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis/struc.xyz' 2025-08-31T10:10:11,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans/struc.xyz' 2025-08-31T10:10:11,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p/struc.xyz' 2025-08-31T10:10:11,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s/struc.xyz' 2025-08-31T10:10:11,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2/struc.xyz' 2025-08-31T10:10:11,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis/struc.xyz' 2025-08-31T10:10:11,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+/struc.xyz' 2025-08-31T10:10:11,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2/struc.xyz' 2025-08-31T10:10:11,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl/struc.xyz' 2025-08-31T10:10:11,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp/struc.xyz' 2025-08-31T10:10:11,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn/struc.xyz' 2025-08-31T10:10:11,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts/struc.xyz' 2025-08-31T10:10:11,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco/struc.xyz' 2025-08-31T10:10:11,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots/struc.xyz' 2025-08-31T10:10:11,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he/struc.xyz' 2025-08-31T10:10:11,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+/struc.xyz' 2025-08-31T10:10:11,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf/struc.xyz' 2025-08-31T10:10:11,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr/struc.xyz' 2025-08-31T10:10:11,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe/struc.xyz' 2025-08-31T10:10:11,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts/struc.xyz' 2025-08-31T10:10:11,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2/struc.xyz' 2025-08-31T10:10:11,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts/struc.xyz' 2025-08-31T10:10:11,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc/struc.xyz' 2025-08-31T10:10:11,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn/struc.xyz' 2025-08-31T10:10:11,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo/struc.xyz' 2025-08-31T10:10:11,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k/struc.xyz' 2025-08-31T10:10:11,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf/struc.xyz' 2025-08-31T10:10:11,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr/struc.xyz' 2025-08-31T10:10:11,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2/struc.xyz' 2025-08-31T10:10:11,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3/struc.xyz' 2025-08-31T10:10:11,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg/struc.xyz' 2025-08-31T10:10:11,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+/struc.xyz' 2025-08-31T10:10:11,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs/struc.xyz' 2025-08-31T10:10:11,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne/struc.xyz' 2025-08-31T10:10:11,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3/struc.xyz' 2025-08-31T10:10:11,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4/struc.xyz' 2025-08-31T10:10:11,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz' 2025-08-31T10:10:11,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz' 2025-08-31T10:10:11,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3/struc.xyz' 2025-08-31T10:10:11,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p/struc.xyz' 2025-08-31T10:10:11,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o/struc.xyz' 2025-08-31T10:10:11,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo/struc.xyz' 2025-08-31T10:10:11,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh/struc.xyz' 2025-08-31T10:10:11,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1/struc.xyz' 2025-08-31T10:10:11,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s/struc.xyz' 2025-08-31T10:10:11,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh/struc.xyz' 2025-08-31T10:10:11,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh/struc.xyz' 2025-08-31T10:10:11,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si/struc.xyz' 2025-08-31T10:10:11,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+/struc.xyz' 2025-08-31T10:10:11,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4/struc.xyz' 2025-08-31T10:10:11,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2/struc.xyz' 2025-08-31T10:10:11,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl/struc.xyz' 2025-08-31T10:10:11,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi/struc.xyz' 2025-08-31T10:10:11,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1/struc.xyz' 2025-08-31T10:10:11,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a/struc.xyz' 2025-08-31T10:10:11,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b/struc.xyz' 2025-08-31T10:10:11,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a/struc.xyz' 2025-08-31T10:10:11,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b/struc.xyz' 2025-08-31T10:10:11,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a/struc.xyz' 2025-08-31T10:10:11,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b/struc.xyz' 2025-08-31T10:10:11,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a/struc.xyz' 2025-08-31T10:10:11,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b/struc.xyz' 2025-08-31T10:10:11,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c/struc.xyz' 2025-08-31T10:10:11,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d/struc.xyz' 2025-08-31T10:10:11,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a/struc.xyz' 2025-08-31T10:10:11,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b/struc.xyz' 2025-08-31T10:10:11,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a/struc.xyz' 2025-08-31T10:10:11,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b/struc.xyz' 2025-08-31T10:10:11,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c/struc.xyz' 2025-08-31T10:10:11,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a/struc.xyz' 2025-08-31T10:10:11,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b/struc.xyz' 2025-08-31T10:10:11,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c/struc.xyz' 2025-08-31T10:10:11,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d/struc.xyz' 2025-08-31T10:10:11,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a/struc.xyz' 2025-08-31T10:10:11,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b/struc.xyz' 2025-08-31T10:10:11,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a/struc.xyz' 2025-08-31T10:10:11,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b/struc.xyz' 2025-08-31T10:10:11,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a/struc.xyz' 2025-08-31T10:10:11,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b/struc.xyz' 2025-08-31T10:10:11,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a/struc.xyz' 2025-08-31T10:10:11,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b/struc.xyz' 2025-08-31T10:10:11,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a/struc.xyz' 2025-08-31T10:10:11,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b/struc.xyz' 2025-08-31T10:10:11,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c/struc.xyz' 2025-08-31T10:10:11,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e/struc.xyz' 2025-08-31T10:10:11,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f/struc.xyz' 2025-08-31T10:10:11,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g/struc.xyz' 2025-08-31T10:10:11,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m/struc.xyz' 2025-08-31T10:10:11,351 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p/struc.xyz' 2025-08-31T10:10:11,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a/struc.xyz' 2025-08-31T10:10:11,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h/struc.xyz' 2025-08-31T10:10:11,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p/struc.xyz' 2025-08-31T10:10:11,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a/struc.xyz' 2025-08-31T10:10:11,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b/struc.xyz' 2025-08-31T10:10:11,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d/struc.xyz' 2025-08-31T10:10:11,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b/struc.xyz' 2025-08-31T10:10:11,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z/struc.xyz' 2025-08-31T10:10:11,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p/struc.xyz' 2025-08-31T10:10:11,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a/struc.xyz' 2025-08-31T10:10:11,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p/struc.xyz' 2025-08-31T10:10:11,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d/struc.xyz' 2025-08-31T10:10:11,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a/struc.xyz' 2025-08-31T10:10:11,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa/struc.xyz' 2025-08-31T10:10:11,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde/struc.xyz' 2025-08-31T10:10:11,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic/struc.xyz' 2025-08-31T10:10:11,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al/struc.xyz' 2025-08-31T10:10:11,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl/struc.xyz' 2025-08-31T10:10:11,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3/struc.xyz' 2025-08-31T10:10:11,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf/struc.xyz' 2025-08-31T10:10:11,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3/struc.xyz' 2025-08-31T10:10:11,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh/struc.xyz' 2025-08-31T10:10:11,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3/struc.xyz' 2025-08-31T10:10:11,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene/struc.xyz' 2025-08-31T10:10:11,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b/struc.xyz' 2025-08-31T10:10:11,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2/struc.xyz' 2025-08-31T10:10:11,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6/struc.xyz' 2025-08-31T10:10:11,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be/struc.xyz' 2025-08-31T10:10:11,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2/struc.xyz' 2025-08-31T10:10:11,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2/struc.xyz' 2025-08-31T10:10:11,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2/struc.xyz' 2025-08-31T10:10:11,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf/struc.xyz' 2025-08-31T10:10:11,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3/struc.xyz' 2025-08-31T10:10:11,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh/struc.xyz' 2025-08-31T10:10:11,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3/struc.xyz' 2025-08-31T10:10:11,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2/struc.xyz' 2025-08-31T10:10:11,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn/struc.xyz' 2025-08-31T10:10:11,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi/struc.xyz' 2025-08-31T10:10:11,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c/struc.xyz' 2025-08-31T10:10:11,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh/struc.xyz' 2025-08-31T10:10:11,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono/struc.xyz' 2025-08-31T10:10:11,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo/struc.xyz' 2025-08-31T10:10:11,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2/struc.xyz' 2025-08-31T10:10:11,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2/struc.xyz' 2025-08-31T10:10:11,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2/struc.xyz' 2025-08-31T10:10:11,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f/struc.xyz' 2025-08-31T10:10:11,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4/struc.xyz' 2025-08-31T10:10:11,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f/struc.xyz' 2025-08-31T10:10:11,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6/struc.xyz' 2025-08-31T10:10:11,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch/struc.xyz' 2025-08-31T10:10:11,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2/struc.xyz' 2025-08-31T10:10:11,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf/struc.xyz' 2025-08-31T10:10:11,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2/struc.xyz' 2025-08-31T10:10:11,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4/struc.xyz' 2025-08-31T10:10:11,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch/struc.xyz' 2025-08-31T10:10:11,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing/struc.xyz' 2025-08-31T10:10:11,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip/struc.xyz' 2025-08-31T10:10:11,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c/struc.xyz' 2025-08-31T10:10:11,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch/struc.xyz' 2025-08-31T10:10:11,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2/struc.xyz' 2025-08-31T10:10:11,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh/struc.xyz' 2025-08-31T10:10:11,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2/struc.xyz' 2025-08-31T10:10:11,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3/struc.xyz' 2025-08-31T10:10:11,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f/struc.xyz' 2025-08-31T10:10:11,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh/struc.xyz' 2025-08-31T10:10:11,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2/struc.xyz' 2025-08-31T10:10:11,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4/struc.xyz' 2025-08-31T10:10:11,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl/struc.xyz' 2025-08-31T10:10:11,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2/struc.xyz' 2025-08-31T10:10:11,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o/struc.xyz' 2025-08-31T10:10:11,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn/struc.xyz' 2025-08-31T10:10:11,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf/struc.xyz' 2025-08-31T10:10:11,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo/struc.xyz' 2025-08-31T10:10:11,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo/struc.xyz' 2025-08-31T10:10:11,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn/struc.xyz' 2025-08-31T10:10:11,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co/struc.xyz' 2025-08-31T10:10:11,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2/struc.xyz' 2025-08-31T10:10:11,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs/struc.xyz' 2025-08-31T10:10:11,479 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2/struc.xyz' 2025-08-31T10:10:11,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane/struc.xyz' 2025-08-31T10:10:11,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol/struc.xyz' 2025-08-31T10:10:11,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f/struc.xyz' 2025-08-31T10:10:11,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2/struc.xyz' 2025-08-31T10:10:11,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co/struc.xyz' 2025-08-31T10:10:11,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o/struc.xyz' 2025-08-31T10:10:11,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf/struc.xyz' 2025-08-31T10:10:11,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2/struc.xyz' 2025-08-31T10:10:11,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof/struc.xyz' 2025-08-31T10:10:11,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic/struc.xyz' 2025-08-31T10:10:11,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal/struc.xyz' 2025-08-31T10:10:11,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h/struc.xyz' 2025-08-31T10:10:11,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2/struc.xyz' 2025-08-31T10:10:11,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn/struc.xyz' 2025-08-31T10:10:11,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co/struc.xyz' 2025-08-31T10:10:11,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o/struc.xyz' 2025-08-31T10:10:11,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s/struc.xyz' 2025-08-31T10:10:11,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf/struc.xyz' 2025-08-31T10:10:11,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl/struc.xyz' 2025-08-31T10:10:11,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn/struc.xyz' 2025-08-31T10:10:11,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh/struc.xyz' 2025-08-31T10:10:11,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno/struc.xyz' 2025-08-31T10:10:11,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco/struc.xyz' 2025-08-31T10:10:11,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof/struc.xyz' 2025-08-31T10:10:11,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf/struc.xyz' 2025-08-31T10:10:11,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc/struc.xyz' 2025-08-31T10:10:11,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco/struc.xyz' 2025-08-31T10:10:11,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn/struc.xyz' 2025-08-31T10:10:11,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno/struc.xyz' 2025-08-31T10:10:11,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl/struc.xyz' 2025-08-31T10:10:11,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn/struc.xyz' 2025-08-31T10:10:11,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof/struc.xyz' 2025-08-31T10:10:11,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc/struc.xyz' 2025-08-31T10:10:11,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo/struc.xyz' 2025-08-31T10:10:11,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh/struc.xyz' 2025-08-31T10:10:11,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs/struc.xyz' 2025-08-31T10:10:11,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene/struc.xyz' 2025-08-31T10:10:11,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol/struc.xyz' 2025-08-31T10:10:11,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n/struc.xyz' 2025-08-31T10:10:11,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2/struc.xyz' 2025-08-31T10:10:11,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h/struc.xyz' 2025-08-31T10:10:11,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4/struc.xyz' 2025-08-31T10:10:11,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o/struc.xyz' 2025-08-31T10:10:11,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn/struc.xyz' 2025-08-31T10:10:11,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh/struc.xyz' 2025-08-31T10:10:11,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2/struc.xyz' 2025-08-31T10:10:11,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl/struc.xyz' 2025-08-31T10:10:11,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3/struc.xyz' 2025-08-31T10:10:11,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no/struc.xyz' 2025-08-31T10:10:11,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2/struc.xyz' 2025-08-31T10:10:11,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o/struc.xyz' 2025-08-31T10:10:11,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2/struc.xyz' 2025-08-31T10:10:11,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3/struc.xyz' 2025-08-31T10:10:11,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo/struc.xyz' 2025-08-31T10:10:11,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs/struc.xyz' 2025-08-31T10:10:11,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of/struc.xyz' 2025-08-31T10:10:11,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh/struc.xyz' 2025-08-31T10:10:11,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane/struc.xyz' 2025-08-31T10:10:11,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene/struc.xyz' 2025-08-31T10:10:11,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p/struc.xyz' 2025-08-31T10:10:11,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2/struc.xyz' 2025-08-31T10:10:11,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4/struc.xyz' 2025-08-31T10:10:11,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3/struc.xyz' 2025-08-31T10:10:11,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane/struc.xyz' 2025-08-31T10:10:11,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene/struc.xyz' 2025-08-31T10:10:11,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne/struc.xyz' 2025-08-31T10:10:11,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s/struc.xyz' 2025-08-31T10:10:11,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2/struc.xyz' 2025-08-31T10:10:11,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o/struc.xyz' 2025-08-31T10:10:11,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3/struc.xyz' 2025-08-31T10:10:11,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v/struc.xyz' 2025-08-31T10:10:11,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si/struc.xyz' 2025-08-31T10:10:11,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6/struc.xyz' 2025-08-31T10:10:11,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif/struc.xyz' 2025-08-31T10:10:11,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4/struc.xyz' 2025-08-31T10:10:11,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih/struc.xyz' 2025-08-31T10:10:11,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f/struc.xyz' 2025-08-31T10:10:11,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4/struc.xyz' 2025-08-31T10:10:11,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio/struc.xyz' 2025-08-31T10:10:11,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so/struc.xyz' 2025-08-31T10:10:11,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2/struc.xyz' 2025-08-31T10:10:11,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3/struc.xyz' 2025-08-31T10:10:11,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh/struc.xyz' 2025-08-31T10:10:11,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh/struc.xyz' 2025-08-31T10:10:11,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono/struc.xyz' 2025-08-31T10:10:11,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo/struc.xyz' 2025-08-31T10:10:11,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2/struc.xyz' 2025-08-31T10:10:11,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O/struc.xyz' 2025-08-31T10:10:11,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2/struc.xyz' 2025-08-31T10:10:11,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20/struc.xyz' 2025-08-31T10:10:11,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es/struc.xyz' 2025-08-31T10:10:11,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc/struc.xyz' 2025-08-31T10:10:11,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs/struc.xyz' 2025-08-31T10:10:11,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3/struc.xyz' 2025-08-31T10:10:11,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4/struc.xyz' 2025-08-31T10:10:11,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5/struc.xyz' 2025-08-31T10:10:11,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6/struc.xyz' 2025-08-31T10:10:11,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b/struc.xyz' 2025-08-31T10:10:11,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c/struc.xyz' 2025-08-31T10:10:11,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2/struc.xyz' 2025-08-31T10:10:11,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d/struc.xyz' 2025-08-31T10:10:11,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4/struc.xyz' 2025-08-31T10:10:11,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op/struc.xyz' 2025-08-31T10:10:11,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O/struc.xyz' 2025-08-31T10:10:11,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2/struc.xyz' 2025-08-31T10:10:11,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3/struc.xyz' 2025-08-31T10:10:11,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz' 2025-08-31T10:10:11,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz' 2025-08-31T10:10:11,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz' 2025-08-31T10:10:11,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm/struc.xyz' 2025-08-31T10:10:11,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O/struc.xyz' 2025-08-31T10:10:11,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2/struc.xyz' 2025-08-31T10:10:11,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3/struc.xyz' 2025-08-31T10:10:11,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz' 2025-08-31T10:10:11,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz' 2025-08-31T10:10:11,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5/struc.xyz' 2025-08-31T10:10:11,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6/struc.xyz' 2025-08-31T10:10:11,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o/struc.xyz' 2025-08-31T10:10:11,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1/struc.xyz' 2025-08-31T10:10:11,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2/struc.xyz' 2025-08-31T10:10:11,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3/struc.xyz' 2025-08-31T10:10:11,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4/struc.xyz' 2025-08-31T10:10:11,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5/struc.xyz' 2025-08-31T10:10:11,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6/struc.xyz' 2025-08-31T10:10:11,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7/struc.xyz' 2025-08-31T10:10:11,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8/struc.xyz' 2025-08-31T10:10:11,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9/struc.xyz' 2025-08-31T10:10:11,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1/struc.xyz' 2025-08-31T10:10:11,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o/struc.xyz' 2025-08-31T10:10:11,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2/struc.xyz' 2025-08-31T10:10:11,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o/struc.xyz' 2025-08-31T10:10:11,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3/struc.xyz' 2025-08-31T10:10:11,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o/struc.xyz' 2025-08-31T10:10:11,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4/struc.xyz' 2025-08-31T10:10:11,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o/struc.xyz' 2025-08-31T10:10:11,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5/struc.xyz' 2025-08-31T10:10:11,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o/struc.xyz' 2025-08-31T10:10:11,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6/struc.xyz' 2025-08-31T10:10:11,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o/struc.xyz' 2025-08-31T10:10:11,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7/struc.xyz' 2025-08-31T10:10:11,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o/struc.xyz' 2025-08-31T10:10:11,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8/struc.xyz' 2025-08-31T10:10:11,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o/struc.xyz' 2025-08-31T10:10:11,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9/struc.xyz' 2025-08-31T10:10:11,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o/struc.xyz' 2025-08-31T10:10:11,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22/struc.xyz' 2025-08-31T10:10:11,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2/struc.xyz' 2025-08-31T10:10:11,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s/struc.xyz' 2025-08-31T10:10:11,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz' 2025-08-31T10:10:11,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2/struc.xyz' 2025-08-31T10:10:11,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s/struc.xyz' 2025-08-31T10:10:11,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz' 2025-08-31T10:10:11,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2/struc.xyz' 2025-08-31T10:10:11,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s/struc.xyz' 2025-08-31T10:10:11,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz' 2025-08-31T10:10:11,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2/struc.xyz' 2025-08-31T10:10:11,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3/struc.xyz' 2025-08-31T10:10:11,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz' 2025-08-31T10:10:11,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2/struc.xyz' 2025-08-31T10:10:11,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3/struc.xyz' 2025-08-31T10:10:11,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz' 2025-08-31T10:10:11,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2/struc.xyz' 2025-08-31T10:10:11,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3/struc.xyz' 2025-08-31T10:10:11,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz' 2025-08-31T10:10:11,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2/struc.xyz' 2025-08-31T10:10:11,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3/struc.xyz' 2025-08-31T10:10:11,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz' 2025-08-31T10:10:11,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2/struc.xyz' 2025-08-31T10:10:11,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3/struc.xyz' 2025-08-31T10:10:11,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz' 2025-08-31T10:10:11,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2/struc.xyz' 2025-08-31T10:10:11,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3/struc.xyz' 2025-08-31T10:10:11,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz' 2025-08-31T10:10:11,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2/struc.xyz' 2025-08-31T10:10:11,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ADIM6.txt' 2025-08-31T10:10:11,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt' 2025-08-31T10:10:11,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AL2X6.txt' 2025-08-31T10:10:11,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALK8.txt' 2025-08-31T10:10:11,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt' 2025-08-31T10:10:11,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt' 2025-08-31T10:10:11,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt' 2025-08-31T10:10:11,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt' 2025-08-31T10:10:11,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt' 2025-08-31T10:10:11,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt' 2025-08-31T10:10:11,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt' 2025-08-31T10:10:11,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CARBHB12.txt' 2025-08-31T10:10:11,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DC13.txt' 2025-08-31T10:10:11,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt' 2025-08-31T10:10:11,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt' 2025-08-31T10:10:11,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt' 2025-08-31T10:10:11,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt' 2025-08-31T10:10:11,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt' 2025-08-31T10:10:11,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt' 2025-08-31T10:10:11,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt' 2025-08-31T10:10:11,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt' 2025-08-31T10:10:11,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt' 2025-08-31T10:10:11,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt' 2025-08-31T10:10:11,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt' 2025-08-31T10:10:11,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt' 2025-08-31T10:10:11,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt' 2025-08-31T10:10:11,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt' 2025-08-31T10:10:11,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RC21.txt' 2025-08-31T10:10:11,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt' 2025-08-31T10:10:11,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt' 2025-08-31T10:10:11,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt' 2025-08-31T10:10:11,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt' 2025-08-31T10:10:11,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt' 2025-08-31T10:10:11,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt' 2025-08-31T10:10:11,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt' 2025-08-31T10:10:11,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt' 2025-08-31T10:10:11,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt' 2025-08-31T10:10:11,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt' 2025-08-31T10:10:11,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt' 2025-08-31T10:10:11,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt' 2025-08-31T10:10:11,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt' 2025-08-31T10:10:11,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt' 2025-08-31T10:10:11,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76.txt' 2025-08-31T10:10:11,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt' 2025-08-31T10:10:11,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt' 2025-08-31T10:10:11,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt' 2025-08-31T10:10:11,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt' 2025-08-31T10:10:11,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt' 2025-08-31T10:10:11,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt' 2025-08-31T10:10:11,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DC13.txt' 2025-08-31T10:10:11,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt' 2025-08-31T10:10:11,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_FH51.txt' 2025-08-31T10:10:11,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt' 2025-08-31T10:10:11,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt' 2025-08-31T10:10:11,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt' 2025-08-31T10:10:11,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt' 2025-08-31T10:10:11,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt' 2025-08-31T10:10:11,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt' 2025-08-31T10:10:11,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_IL16.txt' 2025-08-31T10:10:11,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt' 2025-08-31T10:10:11,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt' 2025-08-31T10:10:11,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PA26.txt' 2025-08-31T10:10:11,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt' 2025-08-31T10:10:11,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PX13.txt' 2025-08-31T10:10:11,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RC21.txt' 2025-08-31T10:10:11,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RG18.txt' 2025-08-31T10:10:11,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt' 2025-08-31T10:10:11,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_S66.txt' 2025-08-31T10:10:11,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt' 2025-08-31T10:10:11,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt' 2025-08-31T10:10:11,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt' 2025-08-31T10:10:11,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt' 2025-08-31T10:10:11,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt' 2025-08-31T10:10:11,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt' 2025-08-31T10:10:11,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G/struc.xyz' 2025-08-31T10:10:11,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T/struc.xyz' 2025-08-31T10:10:11,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g-/struc.xyz' 2025-08-31T10:10:11,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g-/struc.xyz' 2025-08-31T10:10:11,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+/struc.xyz' 2025-08-31T10:10:11,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg/struc.xyz' 2025-08-31T10:10:11,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg/struc.xyz' 2025-08-31T10:10:11,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt/struc.xyz' 2025-08-31T10:10:11,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x-/struc.xyz' 2025-08-31T10:10:11,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg/struc.xyz' 2025-08-31T10:10:11,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt/struc.xyz' 2025-08-31T10:10:11,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt/struc.xyz' 2025-08-31T10:10:11,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g-/struc.xyz' 2025-08-31T10:10:11,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+/struc.xyz' 2025-08-31T10:10:11,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG/struc.xyz' 2025-08-31T10:10:11,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX/struc.xyz' 2025-08-31T10:10:11,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG/struc.xyz' 2025-08-31T10:10:11,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT/struc.xyz' 2025-08-31T10:10:11,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2/struc.xyz' 2025-08-31T10:10:11,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3/struc.xyz' 2025-08-31T10:10:11,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4/struc.xyz' 2025-08-31T10:10:11,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5/struc.xyz' 2025-08-31T10:10:11,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6/struc.xyz' 2025-08-31T10:10:11,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7/struc.xyz' 2025-08-31T10:10:11,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2/struc.xyz' 2025-08-31T10:10:11,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3/struc.xyz' 2025-08-31T10:10:11,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4/struc.xyz' 2025-08-31T10:10:11,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5/struc.xyz' 2025-08-31T10:10:11,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6/struc.xyz' 2025-08-31T10:10:11,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7/struc.xyz' 2025-08-31T10:10:11,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1/struc.xyz' 2025-08-31T10:10:11,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10/struc.xyz' 2025-08-31T10:10:11,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A/struc.xyz' 2025-08-31T10:10:11,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B/struc.xyz' 2025-08-31T10:10:11,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11/struc.xyz' 2025-08-31T10:10:11,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A/struc.xyz' 2025-08-31T10:10:11,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B/struc.xyz' 2025-08-31T10:10:11,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12/struc.xyz' 2025-08-31T10:10:11,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A/struc.xyz' 2025-08-31T10:10:11,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B/struc.xyz' 2025-08-31T10:10:11,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13/struc.xyz' 2025-08-31T10:10:11,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A/struc.xyz' 2025-08-31T10:10:11,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B/struc.xyz' 2025-08-31T10:10:11,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14/struc.xyz' 2025-08-31T10:10:11,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A/struc.xyz' 2025-08-31T10:10:11,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B/struc.xyz' 2025-08-31T10:10:11,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15/struc.xyz' 2025-08-31T10:10:11,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A/struc.xyz' 2025-08-31T10:10:11,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B/struc.xyz' 2025-08-31T10:10:11,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16/struc.xyz' 2025-08-31T10:10:11,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A/struc.xyz' 2025-08-31T10:10:11,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B/struc.xyz' 2025-08-31T10:10:11,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17/struc.xyz' 2025-08-31T10:10:11,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A/struc.xyz' 2025-08-31T10:10:11,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B/struc.xyz' 2025-08-31T10:10:11,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18/struc.xyz' 2025-08-31T10:10:11,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A/struc.xyz' 2025-08-31T10:10:11,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B/struc.xyz' 2025-08-31T10:10:11,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19/struc.xyz' 2025-08-31T10:10:11,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A/struc.xyz' 2025-08-31T10:10:11,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B/struc.xyz' 2025-08-31T10:10:11,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A/struc.xyz' 2025-08-31T10:10:11,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B/struc.xyz' 2025-08-31T10:10:11,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2/struc.xyz' 2025-08-31T10:10:11,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20/struc.xyz' 2025-08-31T10:10:11,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A/struc.xyz' 2025-08-31T10:10:11,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B/struc.xyz' 2025-08-31T10:10:11,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21/struc.xyz' 2025-08-31T10:10:11,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A/struc.xyz' 2025-08-31T10:10:11,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B/struc.xyz' 2025-08-31T10:10:11,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A/struc.xyz' 2025-08-31T10:10:11,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B/struc.xyz' 2025-08-31T10:10:11,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3/struc.xyz' 2025-08-31T10:10:11,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A/struc.xyz' 2025-08-31T10:10:11,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B/struc.xyz' 2025-08-31T10:10:11,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4/struc.xyz' 2025-08-31T10:10:11,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A/struc.xyz' 2025-08-31T10:10:11,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B/struc.xyz' 2025-08-31T10:10:11,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5/struc.xyz' 2025-08-31T10:10:11,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A/struc.xyz' 2025-08-31T10:10:11,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B/struc.xyz' 2025-08-31T10:10:11,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6/struc.xyz' 2025-08-31T10:10:11,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A/struc.xyz' 2025-08-31T10:10:11,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B/struc.xyz' 2025-08-31T10:10:11,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7/struc.xyz' 2025-08-31T10:10:11,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A/struc.xyz' 2025-08-31T10:10:11,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B/struc.xyz' 2025-08-31T10:10:11,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8/struc.xyz' 2025-08-31T10:10:12,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A/struc.xyz' 2025-08-31T10:10:12,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B/struc.xyz' 2025-08-31T10:10:12,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9/struc.xyz' 2025-08-31T10:10:12,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A/struc.xyz' 2025-08-31T10:10:12,007 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B/struc.xyz' 2025-08-31T10:10:12,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6/struc.xyz' 2025-08-31T10:10:12,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6/struc.xyz' 2025-08-31T10:10:12,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6/struc.xyz' 2025-08-31T10:10:12,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4/struc.xyz' 2025-08-31T10:10:12,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5/struc.xyz' 2025-08-31T10:10:12,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6/struc.xyz' 2025-08-31T10:10:12,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3/struc.xyz' 2025-08-31T10:10:12,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3/struc.xyz' 2025-08-31T10:10:12,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3/struc.xyz' 2025-08-31T10:10:12,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2/struc.xyz' 2025-08-31T10:10:12,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3/struc.xyz' 2025-08-31T10:10:12,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+/struc.xyz' 2025-08-31T10:10:12,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2/struc.xyz' 2025-08-31T10:10:12,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz' 2025-08-31T10:10:12,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4/struc.xyz' 2025-08-31T10:10:12,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me/struc.xyz' 2025-08-31T10:10:12,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c/struc.xyz' 2025-08-31T10:10:12,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4/struc.xyz' 2025-08-31T10:10:12,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch/struc.xyz' 2025-08-31T10:10:12,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8/struc.xyz' 2025-08-31T10:10:12,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n/struc.xyz' 2025-08-31T10:10:12,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h/struc.xyz' 2025-08-31T10:10:12,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me/struc.xyz' 2025-08-31T10:10:12,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2/struc.xyz' 2025-08-31T10:10:12,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+/struc.xyz' 2025-08-31T10:10:12,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2/struc.xyz' 2025-08-31T10:10:12,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2/struc.xyz' 2025-08-31T10:10:12,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8/struc.xyz' 2025-08-31T10:10:12,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be/struc.xyz' 2025-08-31T10:10:12,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef/struc.xyz' 2025-08-31T10:10:12,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo/struc.xyz' 2025-08-31T10:10:12,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca/struc.xyz' 2025-08-31T10:10:12,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao/struc.xyz' 2025-08-31T10:10:12,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f/struc.xyz' 2025-08-31T10:10:12,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h/struc.xyz' 2025-08-31T10:10:12,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf/struc.xyz' 2025-08-31T10:10:12,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k/struc.xyz' 2025-08-31T10:10:12,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf/struc.xyz' 2025-08-31T10:10:12,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li/struc.xyz' 2025-08-31T10:10:12,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif/struc.xyz' 2025-08-31T10:10:12,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio/struc.xyz' 2025-08-31T10:10:12,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg/struc.xyz' 2025-08-31T10:10:12,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo/struc.xyz' 2025-08-31T10:10:12,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs/struc.xyz' 2025-08-31T10:10:12,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na/struc.xyz' 2025-08-31T10:10:12,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao/struc.xyz' 2025-08-31T10:10:12,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o/struc.xyz' 2025-08-31T10:10:12,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s/struc.xyz' 2025-08-31T10:10:12,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab/struc.xyz' 2025-08-31T10:10:12,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac/struc.xyz' 2025-08-31T10:10:12,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag/struc.xyz' 2025-08-31T10:10:12,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai/struc.xyz' 2025-08-31T10:10:12,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak/struc.xyz' 2025-08-31T10:10:12,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak/struc.xyz' 2025-08-31T10:10:12,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz' 2025-08-31T10:10:12,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz' 2025-08-31T10:10:12,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby/struc.xyz' 2025-08-31T10:10:12,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci/struc.xyz' 2025-08-31T10:10:12,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab/struc.xyz' 2025-08-31T10:10:12,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae/struc.xyz' 2025-08-31T10:10:12,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz' 2025-08-31T10:10:12,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah/struc.xyz' 2025-08-31T10:10:12,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz' 2025-08-31T10:10:12,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad/struc.xyz' 2025-08-31T10:10:12,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau/struc.xyz' 2025-08-31T10:10:12,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay/struc.xyz' 2025-08-31T10:10:12,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz' 2025-08-31T10:10:12,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz' 2025-08-31T10:10:12,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag/struc.xyz' 2025-08-31T10:10:12,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah/struc.xyz' 2025-08-31T10:10:12,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai/struc.xyz' 2025-08-31T10:10:12,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal/struc.xyz' 2025-08-31T10:10:12,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao/struc.xyz' 2025-08-31T10:10:12,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai/struc.xyz' 2025-08-31T10:10:12,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal/struc.xyz' 2025-08-31T10:10:12,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan/struc.xyz' 2025-08-31T10:10:12,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap/struc.xyz' 2025-08-31T10:10:12,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat/struc.xyz' 2025-08-31T10:10:12,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad/struc.xyz' 2025-08-31T10:10:12,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal/struc.xyz' 2025-08-31T10:10:12,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar/struc.xyz' 2025-08-31T10:10:12,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav/struc.xyz' 2025-08-31T10:10:12,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz' 2025-08-31T10:10:12,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab/struc.xyz' 2025-08-31T10:10:12,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac/struc.xyz' 2025-08-31T10:10:12,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad/struc.xyz' 2025-08-31T10:10:12,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae/struc.xyz' 2025-08-31T10:10:12,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag/struc.xyz' 2025-08-31T10:10:12,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah/struc.xyz' 2025-08-31T10:10:12,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam/struc.xyz' 2025-08-31T10:10:12,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz' 2025-08-31T10:10:12,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau/struc.xyz' 2025-08-31T10:10:12,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav/struc.xyz' 2025-08-31T10:10:12,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae/struc.xyz' 2025-08-31T10:10:12,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag/struc.xyz' 2025-08-31T10:10:12,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz' 2025-08-31T10:10:12,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak/struc.xyz' 2025-08-31T10:10:12,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz' 2025-08-31T10:10:12,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad/struc.xyz' 2025-08-31T10:10:12,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae/struc.xyz' 2025-08-31T10:10:12,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap/struc.xyz' 2025-08-31T10:10:12,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz' 2025-08-31T10:10:12,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz' 2025-08-31T10:10:12,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan/struc.xyz' 2025-08-31T10:10:12,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao/struc.xyz' 2025-08-31T10:10:12,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap/struc.xyz' 2025-08-31T10:10:12,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas/struc.xyz' 2025-08-31T10:10:12,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat/struc.xyz' 2025-08-31T10:10:12,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag/struc.xyz' 2025-08-31T10:10:12,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav/struc.xyz' 2025-08-31T10:10:12,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf/struc.xyz' 2025-08-31T10:10:12,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm/struc.xyz' 2025-08-31T10:10:12,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo/struc.xyz' 2025-08-31T10:10:12,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab/struc.xyz' 2025-08-31T10:10:12,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal/struc.xyz' 2025-08-31T10:10:12,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan/struc.xyz' 2025-08-31T10:10:12,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar/struc.xyz' 2025-08-31T10:10:12,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz' 2025-08-31T10:10:12,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab/struc.xyz' 2025-08-31T10:10:12,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac/struc.xyz' 2025-08-31T10:10:12,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad/struc.xyz' 2025-08-31T10:10:12,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae/struc.xyz' 2025-08-31T10:10:12,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz' 2025-08-31T10:10:12,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad/struc.xyz' 2025-08-31T10:10:12,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf/struc.xyz' 2025-08-31T10:10:12,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah/struc.xyz' 2025-08-31T10:10:12,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak/struc.xyz' 2025-08-31T10:10:12,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar/struc.xyz' 2025-08-31T10:10:12,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab/struc.xyz' 2025-08-31T10:10:12,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag/struc.xyz' 2025-08-31T10:10:12,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah/struc.xyz' 2025-08-31T10:10:12,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal/struc.xyz' 2025-08-31T10:10:12,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq/struc.xyz' 2025-08-31T10:10:12,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac/struc.xyz' 2025-08-31T10:10:12,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz' 2025-08-31T10:10:12,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag/struc.xyz' 2025-08-31T10:10:12,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah/struc.xyz' 2025-08-31T10:10:12,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao/struc.xyz' 2025-08-31T10:10:12,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab/struc.xyz' 2025-08-31T10:10:12,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag/struc.xyz' 2025-08-31T10:10:12,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah/struc.xyz' 2025-08-31T10:10:12,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan/struc.xyz' 2025-08-31T10:10:12,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar/struc.xyz' 2025-08-31T10:10:12,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad/struc.xyz' 2025-08-31T10:10:12,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz' 2025-08-31T10:10:12,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah/struc.xyz' 2025-08-31T10:10:12,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz' 2025-08-31T10:10:12,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak/struc.xyz' 2025-08-31T10:10:12,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5/struc.xyz' 2025-08-31T10:10:12,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6/struc.xyz' 2025-08-31T10:10:12,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8/struc.xyz' 2025-08-31T10:10:12,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH/struc.xyz' 2025-08-31T10:10:12,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4/struc.xyz' 2025-08-31T10:10:12,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2/struc.xyz' 2025-08-31T10:10:12,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O/struc.xyz' 2025-08-31T10:10:12,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S/struc.xyz' 2025-08-31T10:10:12,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS/struc.xyz' 2025-08-31T10:10:12,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H/struc.xyz' 2025-08-31T10:10:12,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2/struc.xyz' 2025-08-31T10:10:12,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH/struc.xyz' 2025-08-31T10:10:12,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2/struc.xyz' 2025-08-31T10:10:12,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3/struc.xyz' 2025-08-31T10:10:12,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O/struc.xyz' 2025-08-31T10:10:12,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2/struc.xyz' 2025-08-31T10:10:12,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3/struc.xyz' 2025-08-31T10:10:12,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01/struc.xyz' 2025-08-31T10:10:12,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02/struc.xyz' 2025-08-31T10:10:12,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03/struc.xyz' 2025-08-31T10:10:12,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04/struc.xyz' 2025-08-31T10:10:12,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05/struc.xyz' 2025-08-31T10:10:12,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06/struc.xyz' 2025-08-31T10:10:12,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07/struc.xyz' 2025-08-31T10:10:12,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08/struc.xyz' 2025-08-31T10:10:12,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09/struc.xyz' 2025-08-31T10:10:12,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10/struc.xyz' 2025-08-31T10:10:12,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11/struc.xyz' 2025-08-31T10:10:12,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12/struc.xyz' 2025-08-31T10:10:12,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13/struc.xyz' 2025-08-31T10:10:12,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14/struc.xyz' 2025-08-31T10:10:12,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15/struc.xyz' 2025-08-31T10:10:12,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16/struc.xyz' 2025-08-31T10:10:12,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17/struc.xyz' 2025-08-31T10:10:12,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18/struc.xyz' 2025-08-31T10:10:12,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19/struc.xyz' 2025-08-31T10:10:12,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20/struc.xyz' 2025-08-31T10:10:12,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21/struc.xyz' 2025-08-31T10:10:12,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22/struc.xyz' 2025-08-31T10:10:12,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4/struc.xyz' 2025-08-31T10:10:12,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5/struc.xyz' 2025-08-31T10:10:12,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts/struc.xyz' 2025-08-31T10:10:12,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7/struc.xyz' 2025-08-31T10:10:12,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts/struc.xyz' 2025-08-31T10:10:12,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3/struc.xyz' 2025-08-31T10:10:12,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl/struc.xyz' 2025-08-31T10:10:12,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f/struc.xyz' 2025-08-31T10:10:12,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts/struc.xyz' 2025-08-31T10:10:12,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh/struc.xyz' 2025-08-31T10:10:12,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl/struc.xyz' 2025-08-31T10:10:12,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-/struc.xyz' 2025-08-31T10:10:12,351 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp/struc.xyz' 2025-08-31T10:10:12,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts/struc.xyz' 2025-08-31T10:10:12,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf/struc.xyz' 2025-08-31T10:10:12,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co/struc.xyz' 2025-08-31T10:10:12,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f/struc.xyz' 2025-08-31T10:10:12,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-/struc.xyz' 2025-08-31T10:10:12,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2/struc.xyz' 2025-08-31T10:10:12,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1/struc.xyz' 2025-08-31T10:10:12,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2/struc.xyz' 2025-08-31T10:10:12,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts/struc.xyz' 2025-08-31T10:10:12,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp/struc.xyz' 2025-08-31T10:10:12,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts/struc.xyz' 2025-08-31T10:10:12,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h/struc.xyz' 2025-08-31T10:10:12,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts/struc.xyz' 2025-08-31T10:10:12,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl/struc.xyz' 2025-08-31T10:10:12,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts/struc.xyz' 2025-08-31T10:10:12,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn/struc.xyz' 2025-08-31T10:10:12,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts/struc.xyz' 2025-08-31T10:10:12,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco/struc.xyz' 2025-08-31T10:10:12,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots/struc.xyz' 2025-08-31T10:10:12,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf/struc.xyz' 2025-08-31T10:10:12,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts/struc.xyz' 2025-08-31T10:10:12,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts/struc.xyz' 2025-08-31T10:10:12,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts/struc.xyz' 2025-08-31T10:10:12,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2/struc.xyz' 2025-08-31T10:10:12,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts/struc.xyz' 2025-08-31T10:10:12,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc/struc.xyz' 2025-08-31T10:10:12,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1/struc.xyz' 2025-08-31T10:10:12,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2/struc.xyz' 2025-08-31T10:10:12,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts/struc.xyz' 2025-08-31T10:10:12,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2/struc.xyz' 2025-08-31T10:10:12,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o/struc.xyz' 2025-08-31T10:10:12,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts/struc.xyz' 2025-08-31T10:10:12,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh/struc.xyz' 2025-08-31T10:10:12,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-/struc.xyz' 2025-08-31T10:10:12,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5/struc.xyz' 2025-08-31T10:10:12,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6/struc.xyz' 2025-08-31T10:10:12,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8/struc.xyz' 2025-08-31T10:10:12,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH/struc.xyz' 2025-08-31T10:10:12,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4/struc.xyz' 2025-08-31T10:10:12,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2/struc.xyz' 2025-08-31T10:10:12,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O/struc.xyz' 2025-08-31T10:10:12,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S/struc.xyz' 2025-08-31T10:10:12,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS/struc.xyz' 2025-08-31T10:10:12,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H/struc.xyz' 2025-08-31T10:10:12,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2/struc.xyz' 2025-08-31T10:10:12,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH/struc.xyz' 2025-08-31T10:10:12,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2/struc.xyz' 2025-08-31T10:10:12,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3/struc.xyz' 2025-08-31T10:10:12,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O/struc.xyz' 2025-08-31T10:10:12,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2/struc.xyz' 2025-08-31T10:10:12,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3/struc.xyz' 2025-08-31T10:10:12,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01/struc.xyz' 2025-08-31T10:10:12,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02/struc.xyz' 2025-08-31T10:10:12,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03/struc.xyz' 2025-08-31T10:10:12,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04/struc.xyz' 2025-08-31T10:10:12,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05/struc.xyz' 2025-08-31T10:10:12,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06/struc.xyz' 2025-08-31T10:10:12,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07/struc.xyz' 2025-08-31T10:10:12,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08/struc.xyz' 2025-08-31T10:10:12,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09/struc.xyz' 2025-08-31T10:10:12,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10/struc.xyz' 2025-08-31T10:10:12,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11/struc.xyz' 2025-08-31T10:10:12,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12/struc.xyz' 2025-08-31T10:10:12,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13/struc.xyz' 2025-08-31T10:10:12,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14/struc.xyz' 2025-08-31T10:10:12,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15/struc.xyz' 2025-08-31T10:10:12,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16/struc.xyz' 2025-08-31T10:10:12,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17/struc.xyz' 2025-08-31T10:10:12,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18/struc.xyz' 2025-08-31T10:10:12,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19/struc.xyz' 2025-08-31T10:10:12,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20/struc.xyz' 2025-08-31T10:10:12,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21/struc.xyz' 2025-08-31T10:10:12,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22/struc.xyz' 2025-08-31T10:10:12,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4/struc.xyz' 2025-08-31T10:10:12,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5/struc.xyz' 2025-08-31T10:10:12,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts/struc.xyz' 2025-08-31T10:10:12,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7/struc.xyz' 2025-08-31T10:10:12,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts/struc.xyz' 2025-08-31T10:10:12,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3/struc.xyz' 2025-08-31T10:10:12,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl/struc.xyz' 2025-08-31T10:10:12,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f/struc.xyz' 2025-08-31T10:10:12,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts/struc.xyz' 2025-08-31T10:10:12,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh/struc.xyz' 2025-08-31T10:10:12,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl/struc.xyz' 2025-08-31T10:10:12,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-/struc.xyz' 2025-08-31T10:10:12,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp/struc.xyz' 2025-08-31T10:10:12,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts/struc.xyz' 2025-08-31T10:10:12,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf/struc.xyz' 2025-08-31T10:10:12,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co/struc.xyz' 2025-08-31T10:10:12,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f/struc.xyz' 2025-08-31T10:10:12,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-/struc.xyz' 2025-08-31T10:10:12,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2/struc.xyz' 2025-08-31T10:10:12,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz' 2025-08-31T10:10:12,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz' 2025-08-31T10:10:12,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts/struc.xyz' 2025-08-31T10:10:12,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp/struc.xyz' 2025-08-31T10:10:12,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts/struc.xyz' 2025-08-31T10:10:12,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h/struc.xyz' 2025-08-31T10:10:12,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts/struc.xyz' 2025-08-31T10:10:12,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl/struc.xyz' 2025-08-31T10:10:12,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts/struc.xyz' 2025-08-31T10:10:12,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn/struc.xyz' 2025-08-31T10:10:12,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts/struc.xyz' 2025-08-31T10:10:12,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco/struc.xyz' 2025-08-31T10:10:12,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots/struc.xyz' 2025-08-31T10:10:12,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf/struc.xyz' 2025-08-31T10:10:12,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts/struc.xyz' 2025-08-31T10:10:12,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts/struc.xyz' 2025-08-31T10:10:12,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts/struc.xyz' 2025-08-31T10:10:12,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2/struc.xyz' 2025-08-31T10:10:12,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts/struc.xyz' 2025-08-31T10:10:12,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc/struc.xyz' 2025-08-31T10:10:12,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz' 2025-08-31T10:10:12,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz' 2025-08-31T10:10:12,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts/struc.xyz' 2025-08-31T10:10:12,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2/struc.xyz' 2025-08-31T10:10:12,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o/struc.xyz' 2025-08-31T10:10:12,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts/struc.xyz' 2025-08-31T10:10:12,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh/struc.xyz' 2025-08-31T10:10:12,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-/struc.xyz' 2025-08-31T10:10:12,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1/struc.xyz' 2025-08-31T10:10:12,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10/struc.xyz' 2025-08-31T10:10:12,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2/struc.xyz' 2025-08-31T10:10:12,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3/struc.xyz' 2025-08-31T10:10:12,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4/struc.xyz' 2025-08-31T10:10:12,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5/struc.xyz' 2025-08-31T10:10:12,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6/struc.xyz' 2025-08-31T10:10:12,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7/struc.xyz' 2025-08-31T10:10:12,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8/struc.xyz' 2025-08-31T10:10:12,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9/struc.xyz' 2025-08-31T10:10:12,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1/struc.xyz' 2025-08-31T10:10:12,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10/struc.xyz' 2025-08-31T10:10:12,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2/struc.xyz' 2025-08-31T10:10:12,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3/struc.xyz' 2025-08-31T10:10:12,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4/struc.xyz' 2025-08-31T10:10:12,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5/struc.xyz' 2025-08-31T10:10:12,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6/struc.xyz' 2025-08-31T10:10:12,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7/struc.xyz' 2025-08-31T10:10:12,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8/struc.xyz' 2025-08-31T10:10:12,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9/struc.xyz' 2025-08-31T10:10:12,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r/struc.xyz' 2025-08-31T10:10:12,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r/struc.xyz' 2025-08-31T10:10:12,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts/struc.xyz' 2025-08-31T10:10:12,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r/struc.xyz' 2025-08-31T10:10:12,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts/struc.xyz' 2025-08-31T10:10:12,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r/struc.xyz' 2025-08-31T10:10:12,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts/struc.xyz' 2025-08-31T10:10:12,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r/struc.xyz' 2025-08-31T10:10:12,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts/struc.xyz' 2025-08-31T10:10:12,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r/struc.xyz' 2025-08-31T10:10:12,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts/struc.xyz' 2025-08-31T10:10:12,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts/struc.xyz' 2025-08-31T10:10:12,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r/struc.xyz' 2025-08-31T10:10:12,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts/struc.xyz' 2025-08-31T10:10:12,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts/struc.xyz' 2025-08-31T10:10:12,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r/struc.xyz' 2025-08-31T10:10:12,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts/struc.xyz' 2025-08-31T10:10:12,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz' 2025-08-31T10:10:12,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz' 2025-08-31T10:10:12,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz' 2025-08-31T10:10:12,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz' 2025-08-31T10:10:12,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz' 2025-08-31T10:10:12,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4/struc.xyz' 2025-08-31T10:10:12,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1/struc.xyz' 2025-08-31T10:10:12,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2/struc.xyz' 2025-08-31T10:10:12,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3/struc.xyz' 2025-08-31T10:10:12,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4/struc.xyz' 2025-08-31T10:10:12,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5/struc.xyz' 2025-08-31T10:10:12,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6/struc.xyz' 2025-08-31T10:10:12,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7/struc.xyz' 2025-08-31T10:10:12,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8/struc.xyz' 2025-08-31T10:10:12,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9/struc.xyz' 2025-08-31T10:10:12,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a/struc.xyz' 2025-08-31T10:10:12,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a/struc.xyz' 2025-08-31T10:10:12,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a/struc.xyz' 2025-08-31T10:10:12,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a/struc.xyz' 2025-08-31T10:10:12,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a/struc.xyz' 2025-08-31T10:10:12,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a/struc.xyz' 2025-08-31T10:10:12,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a/struc.xyz' 2025-08-31T10:10:12,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a/struc.xyz' 2025-08-31T10:10:12,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a/struc.xyz' 2025-08-31T10:10:12,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz' 2025-08-31T10:10:12,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz' 2025-08-31T10:10:12,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene/struc.xyz' 2025-08-31T10:10:12,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene/struc.xyz' 2025-08-31T10:10:12,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz' 2025-08-31T10:10:12,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene/struc.xyz' 2025-08-31T10:10:12,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene/struc.xyz' 2025-08-31T10:10:12,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1/struc.xyz' 2025-08-31T10:10:12,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10/struc.xyz' 2025-08-31T10:10:12,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11/struc.xyz' 2025-08-31T10:10:12,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2/struc.xyz' 2025-08-31T10:10:12,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3/struc.xyz' 2025-08-31T10:10:12,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4/struc.xyz' 2025-08-31T10:10:12,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5/struc.xyz' 2025-08-31T10:10:12,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6/struc.xyz' 2025-08-31T10:10:12,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7/struc.xyz' 2025-08-31T10:10:12,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8/struc.xyz' 2025-08-31T10:10:12,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9/struc.xyz' 2025-08-31T10:10:12,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz' 2025-08-31T10:10:12,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz' 2025-08-31T10:10:12,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC/struc.xyz' 2025-08-31T10:10:12,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz' 2025-08-31T10:10:12,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz' 2025-08-31T10:10:12,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS/struc.xyz' 2025-08-31T10:10:12,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti/struc.xyz' 2025-08-31T10:10:12,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn/struc.xyz' 2025-08-31T10:10:12,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl/struc.xyz' 2025-08-31T10:10:12,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz' 2025-08-31T10:10:12,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz' 2025-08-31T10:10:12,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz' 2025-08-31T10:10:12,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz' 2025-08-31T10:10:12,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS/struc.xyz' 2025-08-31T10:10:12,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis/struc.xyz' 2025-08-31T10:10:12,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans/struc.xyz' 2025-08-31T10:10:12,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl/struc.xyz' 2025-08-31T10:10:12,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st/struc.xyz' 2025-08-31T10:10:12,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz' 2025-08-31T10:10:12,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz' 2025-08-31T10:10:12,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz' 2025-08-31T10:10:12,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz' 2025-08-31T10:10:12,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2/struc.xyz' 2025-08-31T10:10:12,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis/struc.xyz' 2025-08-31T10:10:12,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans/struc.xyz' 2025-08-31T10:10:12,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2/struc.xyz' 2025-08-31T10:10:12,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis/struc.xyz' 2025-08-31T10:10:12,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans/struc.xyz' 2025-08-31T10:10:12,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl/struc.xyz' 2025-08-31T10:10:12,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st/struc.xyz' 2025-08-31T10:10:12,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz' 2025-08-31T10:10:12,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st/struc.xyz' 2025-08-31T10:10:12,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz' 2025-08-31T10:10:12,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz' 2025-08-31T10:10:12,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1/struc.xyz' 2025-08-31T10:10:12,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz' 2025-08-31T10:10:12,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz' 2025-08-31T10:10:12,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz' 2025-08-31T10:10:12,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0/struc.xyz' 2025-08-31T10:10:12,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120/struc.xyz' 2025-08-31T10:10:12,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180/struc.xyz' 2025-08-31T10:10:12,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60/struc.xyz' 2025-08-31T10:10:12,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1/struc.xyz' 2025-08-31T10:10:12,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2/struc.xyz' 2025-08-31T10:10:12,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6/struc.xyz' 2025-08-31T10:10:12,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3/struc.xyz' 2025-08-31T10:10:12,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4/struc.xyz' 2025-08-31T10:10:12,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5/struc.xyz' 2025-08-31T10:10:12,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4/struc.xyz' 2025-08-31T10:10:12,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1/struc.xyz' 2025-08-31T10:10:12,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10/struc.xyz' 2025-08-31T10:10:12,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11/struc.xyz' 2025-08-31T10:10:12,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12/struc.xyz' 2025-08-31T10:10:12,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13/struc.xyz' 2025-08-31T10:10:12,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14/struc.xyz' 2025-08-31T10:10:12,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15/struc.xyz' 2025-08-31T10:10:12,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2/struc.xyz' 2025-08-31T10:10:12,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3/struc.xyz' 2025-08-31T10:10:12,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4/struc.xyz' 2025-08-31T10:10:12,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5/struc.xyz' 2025-08-31T10:10:12,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6/struc.xyz' 2025-08-31T10:10:12,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7/struc.xyz' 2025-08-31T10:10:12,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8/struc.xyz' 2025-08-31T10:10:12,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9/struc.xyz' 2025-08-31T10:10:12,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1/struc.xyz' 2025-08-31T10:10:12,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10/struc.xyz' 2025-08-31T10:10:12,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11/struc.xyz' 2025-08-31T10:10:12,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12/struc.xyz' 2025-08-31T10:10:12,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13/struc.xyz' 2025-08-31T10:10:12,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14/struc.xyz' 2025-08-31T10:10:12,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15/struc.xyz' 2025-08-31T10:10:12,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16/struc.xyz' 2025-08-31T10:10:12,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2/struc.xyz' 2025-08-31T10:10:12,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3/struc.xyz' 2025-08-31T10:10:12,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4/struc.xyz' 2025-08-31T10:10:12,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5/struc.xyz' 2025-08-31T10:10:12,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6/struc.xyz' 2025-08-31T10:10:12,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7/struc.xyz' 2025-08-31T10:10:12,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8/struc.xyz' 2025-08-31T10:10:12,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9/struc.xyz' 2025-08-31T10:10:12,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1/struc.xyz' 2025-08-31T10:10:12,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10/struc.xyz' 2025-08-31T10:10:12,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11/struc.xyz' 2025-08-31T10:10:12,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12/struc.xyz' 2025-08-31T10:10:12,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13/struc.xyz' 2025-08-31T10:10:12,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14/struc.xyz' 2025-08-31T10:10:12,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15/struc.xyz' 2025-08-31T10:10:12,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16/struc.xyz' 2025-08-31T10:10:12,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17/struc.xyz' 2025-08-31T10:10:12,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18/struc.xyz' 2025-08-31T10:10:12,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19/struc.xyz' 2025-08-31T10:10:12,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2/struc.xyz' 2025-08-31T10:10:12,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20/struc.xyz' 2025-08-31T10:10:12,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21/struc.xyz' 2025-08-31T10:10:12,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22/struc.xyz' 2025-08-31T10:10:12,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23/struc.xyz' 2025-08-31T10:10:12,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24/struc.xyz' 2025-08-31T10:10:12,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25/struc.xyz' 2025-08-31T10:10:12,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26/struc.xyz' 2025-08-31T10:10:12,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27/struc.xyz' 2025-08-31T10:10:12,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28/struc.xyz' 2025-08-31T10:10:12,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29/struc.xyz' 2025-08-31T10:10:12,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3/struc.xyz' 2025-08-31T10:10:12,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30/struc.xyz' 2025-08-31T10:10:12,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31/struc.xyz' 2025-08-31T10:10:12,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32/struc.xyz' 2025-08-31T10:10:12,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33/struc.xyz' 2025-08-31T10:10:12,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34/struc.xyz' 2025-08-31T10:10:12,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35/struc.xyz' 2025-08-31T10:10:12,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36/struc.xyz' 2025-08-31T10:10:12,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37/struc.xyz' 2025-08-31T10:10:12,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38/struc.xyz' 2025-08-31T10:10:12,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39/struc.xyz' 2025-08-31T10:10:12,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4/struc.xyz' 2025-08-31T10:10:12,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40/struc.xyz' 2025-08-31T10:10:12,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41/struc.xyz' 2025-08-31T10:10:12,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42/struc.xyz' 2025-08-31T10:10:12,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43/struc.xyz' 2025-08-31T10:10:12,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44/struc.xyz' 2025-08-31T10:10:12,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45/struc.xyz' 2025-08-31T10:10:12,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46/struc.xyz' 2025-08-31T10:10:12,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47/struc.xyz' 2025-08-31T10:10:12,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48/struc.xyz' 2025-08-31T10:10:12,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49/struc.xyz' 2025-08-31T10:10:12,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5/struc.xyz' 2025-08-31T10:10:12,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50/struc.xyz' 2025-08-31T10:10:12,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51/struc.xyz' 2025-08-31T10:10:12,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52/struc.xyz' 2025-08-31T10:10:12,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53/struc.xyz' 2025-08-31T10:10:12,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54/struc.xyz' 2025-08-31T10:10:12,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55/struc.xyz' 2025-08-31T10:10:12,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56/struc.xyz' 2025-08-31T10:10:12,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57/struc.xyz' 2025-08-31T10:10:12,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58/struc.xyz' 2025-08-31T10:10:12,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59/struc.xyz' 2025-08-31T10:10:12,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6/struc.xyz' 2025-08-31T10:10:12,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60/struc.xyz' 2025-08-31T10:10:12,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61/struc.xyz' 2025-08-31T10:10:12,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62/struc.xyz' 2025-08-31T10:10:12,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63/struc.xyz' 2025-08-31T10:10:12,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64/struc.xyz' 2025-08-31T10:10:12,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65/struc.xyz' 2025-08-31T10:10:12,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7/struc.xyz' 2025-08-31T10:10:12,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8/struc.xyz' 2025-08-31T10:10:12,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9/struc.xyz' 2025-08-31T10:10:12,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1/struc.xyz' 2025-08-31T10:10:12,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10/struc.xyz' 2025-08-31T10:10:12,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2/struc.xyz' 2025-08-31T10:10:12,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3/struc.xyz' 2025-08-31T10:10:12,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4/struc.xyz' 2025-08-31T10:10:12,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5/struc.xyz' 2025-08-31T10:10:12,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6/struc.xyz' 2025-08-31T10:10:12,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7/struc.xyz' 2025-08-31T10:10:12,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8/struc.xyz' 2025-08-31T10:10:12,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9/struc.xyz' 2025-08-31T10:10:12,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL/struc.xyz' 2025-08-31T10:10:12,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A/struc.xyz' 2025-08-31T10:10:12,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B/struc.xyz' 2025-08-31T10:10:12,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N/struc.xyz' 2025-08-31T10:10:12,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A/struc.xyz' 2025-08-31T10:10:12,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B/struc.xyz' 2025-08-31T10:10:12,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O/struc.xyz' 2025-08-31T10:10:12,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A/struc.xyz' 2025-08-31T10:10:12,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B/struc.xyz' 2025-08-31T10:10:12,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL/struc.xyz' 2025-08-31T10:10:12,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A/struc.xyz' 2025-08-31T10:10:12,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B/struc.xyz' 2025-08-31T10:10:12,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N/struc.xyz' 2025-08-31T10:10:12,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A/struc.xyz' 2025-08-31T10:10:12,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B/struc.xyz' 2025-08-31T10:10:12,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O/struc.xyz' 2025-08-31T10:10:12,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A/struc.xyz' 2025-08-31T10:10:12,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B/struc.xyz' 2025-08-31T10:10:12,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL/struc.xyz' 2025-08-31T10:10:12,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A/struc.xyz' 2025-08-31T10:10:12,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B/struc.xyz' 2025-08-31T10:10:12,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N/struc.xyz' 2025-08-31T10:10:12,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A/struc.xyz' 2025-08-31T10:10:12,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B/struc.xyz' 2025-08-31T10:10:12,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O/struc.xyz' 2025-08-31T10:10:12,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A/struc.xyz' 2025-08-31T10:10:12,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B/struc.xyz' 2025-08-31T10:10:12,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL/struc.xyz' 2025-08-31T10:10:12,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A/struc.xyz' 2025-08-31T10:10:12,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B/struc.xyz' 2025-08-31T10:10:12,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N/struc.xyz' 2025-08-31T10:10:12,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A/struc.xyz' 2025-08-31T10:10:12,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B/struc.xyz' 2025-08-31T10:10:12,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O/struc.xyz' 2025-08-31T10:10:12,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A/struc.xyz' 2025-08-31T10:10:12,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B/struc.xyz' 2025-08-31T10:10:12,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20/struc.xyz' 2025-08-31T10:10:12,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22/struc.xyz' 2025-08-31T10:10:12,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25/struc.xyz' 2025-08-31T10:10:12,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26/struc.xyz' 2025-08-31T10:10:12,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40/struc.xyz' 2025-08-31T10:10:12,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43/struc.xyz' 2025-08-31T10:10:12,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44/struc.xyz' 2025-08-31T10:10:13,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45/struc.xyz' 2025-08-31T10:10:13,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46/struc.xyz' 2025-08-31T10:10:13,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47/struc.xyz' 2025-08-31T10:10:13,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48/struc.xyz' 2025-08-31T10:10:13,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49/struc.xyz' 2025-08-31T10:10:13,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51/struc.xyz' 2025-08-31T10:10:13,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52/struc.xyz' 2025-08-31T10:10:13,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56/struc.xyz' 2025-08-31T10:10:13,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60/struc.xyz' 2025-08-31T10:10:13,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20/struc.xyz' 2025-08-31T10:10:13,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21/struc.xyz' 2025-08-31T10:10:13,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22/struc.xyz' 2025-08-31T10:10:13,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25/struc.xyz' 2025-08-31T10:10:13,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26/struc.xyz' 2025-08-31T10:10:13,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28/struc.xyz' 2025-08-31T10:10:13,024 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29/struc.xyz' 2025-08-31T10:10:13,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40/struc.xyz' 2025-08-31T10:10:13,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43/struc.xyz' 2025-08-31T10:10:13,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44/struc.xyz' 2025-08-31T10:10:13,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45/struc.xyz' 2025-08-31T10:10:13,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46/struc.xyz' 2025-08-31T10:10:13,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47/struc.xyz' 2025-08-31T10:10:13,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48/struc.xyz' 2025-08-31T10:10:13,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49/struc.xyz' 2025-08-31T10:10:13,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51/struc.xyz' 2025-08-31T10:10:13,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52/struc.xyz' 2025-08-31T10:10:13,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56/struc.xyz' 2025-08-31T10:10:13,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57/struc.xyz' 2025-08-31T10:10:13,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60/struc.xyz' 2025-08-31T10:10:13,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22/struc.xyz' 2025-08-31T10:10:13,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A/struc.xyz' 2025-08-31T10:10:13,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B/struc.xyz' 2025-08-31T10:10:13,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23/struc.xyz' 2025-08-31T10:10:13,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A/struc.xyz' 2025-08-31T10:10:13,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B/struc.xyz' 2025-08-31T10:10:13,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24/struc.xyz' 2025-08-31T10:10:13,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A/struc.xyz' 2025-08-31T10:10:13,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B/struc.xyz' 2025-08-31T10:10:13,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25/struc.xyz' 2025-08-31T10:10:13,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A/struc.xyz' 2025-08-31T10:10:13,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B/struc.xyz' 2025-08-31T10:10:13,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26/struc.xyz' 2025-08-31T10:10:13,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A/struc.xyz' 2025-08-31T10:10:13,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B/struc.xyz' 2025-08-31T10:10:13,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27/struc.xyz' 2025-08-31T10:10:13,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A/struc.xyz' 2025-08-31T10:10:13,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B/struc.xyz' 2025-08-31T10:10:13,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1/struc.xyz' 2025-08-31T10:10:13,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10/struc.xyz' 2025-08-31T10:10:13,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X/struc.xyz' 2025-08-31T10:10:13,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2/struc.xyz' 2025-08-31T10:10:13,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3/struc.xyz' 2025-08-31T10:10:13,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4/struc.xyz' 2025-08-31T10:10:13,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5/struc.xyz' 2025-08-31T10:10:13,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6/struc.xyz' 2025-08-31T10:10:13,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7/struc.xyz' 2025-08-31T10:10:13,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X/struc.xyz' 2025-08-31T10:10:13,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8/struc.xyz' 2025-08-31T10:10:13,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X/struc.xyz' 2025-08-31T10:10:13,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9/struc.xyz' 2025-08-31T10:10:13,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X/struc.xyz' 2025-08-31T10:10:13,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene/struc.xyz' 2025-08-31T10:10:13,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene/struc.xyz' 2025-08-31T10:10:13,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene/struc.xyz' 2025-08-31T10:10:13,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene/struc.xyz' 2025-08-31T10:10:13,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine/struc.xyz' 2025-08-31T10:10:13,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane/struc.xyz' 2025-08-31T10:10:13,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein/struc.xyz' 2025-08-31T10:10:13,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH/struc.xyz' 2025-08-31T10:10:13,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip/struc.xyz' 2025-08-31T10:10:13,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6/struc.xyz' 2025-08-31T10:10:13,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6/struc.xyz' 2025-08-31T10:10:13,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2/struc.xyz' 2025-08-31T10:10:13,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL/struc.xyz' 2025-08-31T10:10:13,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz' 2025-08-31T10:10:13,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz' 2025-08-31T10:10:13,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35/struc.xyz' 2025-08-31T10:10:13,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36/struc.xyz' 2025-08-31T10:10:13,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35/struc.xyz' 2025-08-31T10:10:13,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36/struc.xyz' 2025-08-31T10:10:13,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be/struc.xyz' 2025-08-31T10:10:13,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4/struc.xyz' 2025-08-31T10:10:13,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl/struc.xyz' 2025-08-31T10:10:13,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage/struc.xyz' 2025-08-31T10:10:13,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2/struc.xyz' 2025-08-31T10:10:13,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4/struc.xyz' 2025-08-31T10:10:13,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1/struc.xyz' 2025-08-31T10:10:13,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2/struc.xyz' 2025-08-31T10:10:13,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2/struc.xyz' 2025-08-31T10:10:13,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen/struc.xyz' 2025-08-31T10:10:13,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene/struc.xyz' 2025-08-31T10:10:13,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne/struc.xyz' 2025-08-31T10:10:13,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3/struc.xyz' 2025-08-31T10:10:13,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add/struc.xyz' 2025-08-31T10:10:13,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add/struc.xyz' 2025-08-31T10:10:13,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb/struc.xyz' 2025-08-31T10:10:13,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2/struc.xyz' 2025-08-31T10:10:13,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8/struc.xyz' 2025-08-31T10:10:13,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen/struc.xyz' 2025-08-31T10:10:13,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be/struc.xyz' 2025-08-31T10:10:13,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+/struc.xyz' 2025-08-31T10:10:13,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4/struc.xyz' 2025-08-31T10:10:13,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz' 2025-08-31T10:10:13,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6/struc.xyz' 2025-08-31T10:10:13,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz' 2025-08-31T10:10:13,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4/struc.xyz' 2025-08-31T10:10:13,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz' 2025-08-31T10:10:13,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o/struc.xyz' 2025-08-31T10:10:13,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz' 2025-08-31T10:10:13,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s/struc.xyz' 2025-08-31T10:10:13,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+/struc.xyz' 2025-08-31T10:10:13,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg/struc.xyz' 2025-08-31T10:10:13,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+/struc.xyz' 2025-08-31T10:10:13,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2/struc.xyz' 2025-08-31T10:10:13,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz' 2025-08-31T10:10:13,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3/struc.xyz' 2025-08-31T10:10:13,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+/struc.xyz' 2025-08-31T10:10:13,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3/struc.xyz' 2025-08-31T10:10:13,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+/struc.xyz' 2025-08-31T10:10:13,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene/struc.xyz' 2025-08-31T10:10:13,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene/struc.xyz' 2025-08-31T10:10:13,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne/struc.xyz' 2025-08-31T10:10:13,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne/struc.xyz' 2025-08-31T10:10:13,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene/struc.xyz' 2025-08-31T10:10:13,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane/struc.xyz' 2025-08-31T10:10:13,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2/struc.xyz' 2025-08-31T10:10:13,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz' 2025-08-31T10:10:13,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz' 2025-08-31T10:10:13,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz' 2025-08-31T10:10:13,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H/struc.xyz' 2025-08-31T10:10:13,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2/struc.xyz' 2025-08-31T10:10:13,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2/struc.xyz' 2025-08-31T10:10:13,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO/struc.xyz' 2025-08-31T10:10:13,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN/struc.xyz' 2025-08-31T10:10:13,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz' 2025-08-31T10:10:13,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H/struc.xyz' 2025-08-31T10:10:13,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2/struc.xyz' 2025-08-31T10:10:13,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO/struc.xyz' 2025-08-31T10:10:13,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2/struc.xyz' 2025-08-31T10:10:13,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH/struc.xyz' 2025-08-31T10:10:13,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2/struc.xyz' 2025-08-31T10:10:13,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO/struc.xyz' 2025-08-31T10:10:13,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H/struc.xyz' 2025-08-31T10:10:13,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO/struc.xyz' 2025-08-31T10:10:13,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2/struc.xyz' 2025-08-31T10:10:13,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz' 2025-08-31T10:10:13,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2/struc.xyz' 2025-08-31T10:10:13,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO/struc.xyz' 2025-08-31T10:10:13,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H/struc.xyz' 2025-08-31T10:10:13,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H/struc.xyz' 2025-08-31T10:10:13,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O/struc.xyz' 2025-08-31T10:10:13,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO/struc.xyz' 2025-08-31T10:10:13,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2/struc.xyz' 2025-08-31T10:10:13,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2/struc.xyz' 2025-08-31T10:10:13,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz' 2025-08-31T10:10:13,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2/struc.xyz' 2025-08-31T10:10:13,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2/struc.xyz' 2025-08-31T10:10:13,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz' 2025-08-31T10:10:13,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO/struc.xyz' 2025-08-31T10:10:13,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O/struc.xyz' 2025-08-31T10:10:13,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2/struc.xyz' 2025-08-31T10:10:13,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S/struc.xyz' 2025-08-31T10:10:13,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN/struc.xyz' 2025-08-31T10:10:13,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11/struc.xyz' 2025-08-31T10:10:13,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz' 2025-08-31T10:10:13,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl/struc.xyz' 2025-08-31T10:10:13,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene/struc.xyz' 2025-08-31T10:10:13,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3/struc.xyz' 2025-08-31T10:10:13,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2/struc.xyz' 2025-08-31T10:10:13,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2/struc.xyz' 2025-08-31T10:10:13,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz' 2025-08-31T10:10:13,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol/struc.xyz' 2025-08-31T10:10:13,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene/struc.xyz' 2025-08-31T10:10:13,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine/struc.xyz' 2025-08-31T10:10:13,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane/struc.xyz' 2025-08-31T10:10:13,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane/struc.xyz' 2025-08-31T10:10:13,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane/struc.xyz' 2025-08-31T10:10:13,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole/struc.xyz' 2025-08-31T10:10:13,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz' 2025-08-31T10:10:13,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene/struc.xyz' 2025-08-31T10:10:13,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz' 2025-08-31T10:10:13,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne/struc.xyz' 2025-08-31T10:10:13,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione/struc.xyz' 2025-08-31T10:10:13,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne/struc.xyz' 2025-08-31T10:10:13,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol/struc.xyz' 2025-08-31T10:10:13,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz' 2025-08-31T10:10:13,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz' 2025-08-31T10:10:13,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz' 2025-08-31T10:10:13,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane/struc.xyz' 2025-08-31T10:10:13,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran/struc.xyz' 2025-08-31T10:10:13,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole/struc.xyz' 2025-08-31T10:10:13,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole/struc.xyz' 2025-08-31T10:10:13,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine/struc.xyz' 2025-08-31T10:10:13,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole/struc.xyz' 2025-08-31T10:10:13,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane/struc.xyz' 2025-08-31T10:10:13,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane/struc.xyz' 2025-08-31T10:10:13,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane/struc.xyz' 2025-08-31T10:10:13,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene/struc.xyz' 2025-08-31T10:10:13,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol/struc.xyz' 2025-08-31T10:10:13,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol/struc.xyz' 2025-08-31T10:10:13,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran/struc.xyz' 2025-08-31T10:10:13,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane/struc.xyz' 2025-08-31T10:10:13,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene/struc.xyz' 2025-08-31T10:10:13,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane/struc.xyz' 2025-08-31T10:10:13,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene/struc.xyz' 2025-08-31T10:10:13,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene/struc.xyz' 2025-08-31T10:10:13,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10/struc.xyz' 2025-08-31T10:10:13,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n/struc.xyz' 2025-08-31T10:10:13,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11/struc.xyz' 2025-08-31T10:10:13,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n/struc.xyz' 2025-08-31T10:10:13,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12/struc.xyz' 2025-08-31T10:10:13,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n/struc.xyz' 2025-08-31T10:10:13,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13/struc.xyz' 2025-08-31T10:10:13,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n/struc.xyz' 2025-08-31T10:10:13,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14/struc.xyz' 2025-08-31T10:10:13,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n/struc.xyz' 2025-08-31T10:10:13,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15/struc.xyz' 2025-08-31T10:10:13,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n/struc.xyz' 2025-08-31T10:10:13,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16/struc.xyz' 2025-08-31T10:10:13,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n/struc.xyz' 2025-08-31T10:10:13,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17/struc.xyz' 2025-08-31T10:10:13,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n/struc.xyz' 2025-08-31T10:10:13,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18/struc.xyz' 2025-08-31T10:10:13,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n/struc.xyz' 2025-08-31T10:10:13,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19/struc.xyz' 2025-08-31T10:10:13,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n/struc.xyz' 2025-08-31T10:10:13,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20/struc.xyz' 2025-08-31T10:10:13,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n/struc.xyz' 2025-08-31T10:10:13,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21/struc.xyz' 2025-08-31T10:10:13,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n/struc.xyz' 2025-08-31T10:10:13,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22/struc.xyz' 2025-08-31T10:10:13,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n/struc.xyz' 2025-08-31T10:10:13,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23/struc.xyz' 2025-08-31T10:10:13,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n/struc.xyz' 2025-08-31T10:10:13,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24/struc.xyz' 2025-08-31T10:10:13,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n/struc.xyz' 2025-08-31T10:10:13,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25/struc.xyz' 2025-08-31T10:10:13,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n/struc.xyz' 2025-08-31T10:10:13,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8/struc.xyz' 2025-08-31T10:10:13,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n/struc.xyz' 2025-08-31T10:10:13,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9/struc.xyz' 2025-08-31T10:10:13,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n/struc.xyz' 2025-08-31T10:10:13,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c/struc.xyz' 2025-08-31T10:10:13,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-/struc.xyz' 2025-08-31T10:10:13,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl/struc.xyz' 2025-08-31T10:10:13,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-/struc.xyz' 2025-08-31T10:10:13,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f/struc.xyz' 2025-08-31T10:10:13,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-/struc.xyz' 2025-08-31T10:10:13,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o/struc.xyz' 2025-08-31T10:10:13,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-/struc.xyz' 2025-08-31T10:10:13,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p/struc.xyz' 2025-08-31T10:10:13,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-/struc.xyz' 2025-08-31T10:10:13,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s/struc.xyz' 2025-08-31T10:10:13,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-/struc.xyz' 2025-08-31T10:10:13,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si/struc.xyz' 2025-08-31T10:10:13,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-/struc.xyz' 2025-08-31T10:10:13,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11/struc.xyz' 2025-08-31T10:10:13,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12/struc.xyz' 2025-08-31T10:10:13,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13/struc.xyz' 2025-08-31T10:10:13,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137/struc.xyz' 2025-08-31T10:10:13,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14/struc.xyz' 2025-08-31T10:10:13,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18/struc.xyz' 2025-08-31T10:10:13,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19/struc.xyz' 2025-08-31T10:10:13,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20/struc.xyz' 2025-08-31T10:10:13,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22/struc.xyz' 2025-08-31T10:10:13,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25/struc.xyz' 2025-08-31T10:10:13,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26/struc.xyz' 2025-08-31T10:10:13,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30/struc.xyz' 2025-08-31T10:10:13,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34/struc.xyz' 2025-08-31T10:10:13,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37/struc.xyz' 2025-08-31T10:10:13,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43/struc.xyz' 2025-08-31T10:10:13,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44/struc.xyz' 2025-08-31T10:10:13,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45/struc.xyz' 2025-08-31T10:10:13,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48/struc.xyz' 2025-08-31T10:10:13,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51/struc.xyz' 2025-08-31T10:10:13,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8/struc.xyz' 2025-08-31T10:10:13,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59/struc.xyz' 2025-08-31T10:10:13,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60/struc.xyz' 2025-08-31T10:10:13,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61/struc.xyz' 2025-08-31T10:10:13,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62/struc.xyz' 2025-08-31T10:10:13,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63/struc.xyz' 2025-08-31T10:10:13,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64/struc.xyz' 2025-08-31T10:10:13,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65/struc.xyz' 2025-08-31T10:10:13,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66/struc.xyz' 2025-08-31T10:10:13,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67/struc.xyz' 2025-08-31T10:10:13,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68/struc.xyz' 2025-08-31T10:10:13,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70/struc.xyz' 2025-08-31T10:10:13,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71/struc.xyz' 2025-08-31T10:10:13,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72/struc.xyz' 2025-08-31T10:10:13,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73/struc.xyz' 2025-08-31T10:10:13,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74/struc.xyz' 2025-08-31T10:10:13,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75/struc.xyz' 2025-08-31T10:10:13,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76/struc.xyz' 2025-08-31T10:10:13,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77/struc.xyz' 2025-08-31T10:10:13,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78/struc.xyz' 2025-08-31T10:10:13,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79/struc.xyz' 2025-08-31T10:10:13,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80/struc.xyz' 2025-08-31T10:10:13,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65/struc.xyz' 2025-08-31T10:10:13,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al/struc.xyz' 2025-08-31T10:10:13,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+/struc.xyz' 2025-08-31T10:10:13,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b/struc.xyz' 2025-08-31T10:10:13,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+/struc.xyz' 2025-08-31T10:10:13,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be/struc.xyz' 2025-08-31T10:10:13,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+/struc.xyz' 2025-08-31T10:10:13,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c/struc.xyz' 2025-08-31T10:10:13,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+/struc.xyz' 2025-08-31T10:10:13,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl/struc.xyz' 2025-08-31T10:10:13,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+/struc.xyz' 2025-08-31T10:10:13,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f/struc.xyz' 2025-08-31T10:10:13,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+/struc.xyz' 2025-08-31T10:10:13,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h/struc.xyz' 2025-08-31T10:10:13,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li/struc.xyz' 2025-08-31T10:10:13,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+/struc.xyz' 2025-08-31T10:10:13,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg/struc.xyz' 2025-08-31T10:10:13,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+/struc.xyz' 2025-08-31T10:10:13,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n/struc.xyz' 2025-08-31T10:10:13,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+/struc.xyz' 2025-08-31T10:10:13,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na/struc.xyz' 2025-08-31T10:10:13,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+/struc.xyz' 2025-08-31T10:10:13,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o/struc.xyz' 2025-08-31T10:10:13,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+/struc.xyz' 2025-08-31T10:10:13,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p/struc.xyz' 2025-08-31T10:10:13,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+/struc.xyz' 2025-08-31T10:10:13,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s/struc.xyz' 2025-08-31T10:10:13,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+/struc.xyz' 2025-08-31T10:10:13,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si/struc.xyz' 2025-08-31T10:10:13,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+/struc.xyz' 2025-08-31T10:10:13,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1/struc.xyz' 2025-08-31T10:10:13,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100/struc.xyz' 2025-08-31T10:10:13,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104/struc.xyz' 2025-08-31T10:10:13,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106/struc.xyz' 2025-08-31T10:10:13,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11/struc.xyz' 2025-08-31T10:10:13,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113/struc.xyz' 2025-08-31T10:10:13,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117/struc.xyz' 2025-08-31T10:10:13,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118/struc.xyz' 2025-08-31T10:10:13,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121/struc.xyz' 2025-08-31T10:10:13,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126/struc.xyz' 2025-08-31T10:10:13,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128/struc.xyz' 2025-08-31T10:10:13,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13/struc.xyz' 2025-08-31T10:10:13,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14/struc.xyz' 2025-08-31T10:10:13,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18/struc.xyz' 2025-08-31T10:10:13,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21/struc.xyz' 2025-08-31T10:10:13,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22/struc.xyz' 2025-08-31T10:10:13,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23/struc.xyz' 2025-08-31T10:10:13,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24/struc.xyz' 2025-08-31T10:10:13,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25/struc.xyz' 2025-08-31T10:10:13,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26/struc.xyz' 2025-08-31T10:10:13,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30/struc.xyz' 2025-08-31T10:10:13,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32/struc.xyz' 2025-08-31T10:10:13,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33/struc.xyz' 2025-08-31T10:10:13,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34/struc.xyz' 2025-08-31T10:10:13,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39/struc.xyz' 2025-08-31T10:10:13,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40/struc.xyz' 2025-08-31T10:10:13,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45/struc.xyz' 2025-08-31T10:10:13,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47/struc.xyz' 2025-08-31T10:10:13,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51/struc.xyz' 2025-08-31T10:10:13,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52/struc.xyz' 2025-08-31T10:10:13,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56/struc.xyz' 2025-08-31T10:10:13,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57/struc.xyz' 2025-08-31T10:10:13,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58/struc.xyz' 2025-08-31T10:10:13,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59/struc.xyz' 2025-08-31T10:10:13,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6/struc.xyz' 2025-08-31T10:10:13,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60/struc.xyz' 2025-08-31T10:10:13,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61/struc.xyz' 2025-08-31T10:10:13,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62/struc.xyz' 2025-08-31T10:10:13,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66/struc.xyz' 2025-08-31T10:10:13,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67/struc.xyz' 2025-08-31T10:10:13,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68/struc.xyz' 2025-08-31T10:10:13,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73/struc.xyz' 2025-08-31T10:10:13,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8/struc.xyz' 2025-08-31T10:10:13,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82/struc.xyz' 2025-08-31T10:10:13,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88/struc.xyz' 2025-08-31T10:10:13,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94/struc.xyz' 2025-08-31T10:10:13,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97/struc.xyz' 2025-08-31T10:10:13,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA/struc.xyz' 2025-08-31T10:10:13,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz' 2025-08-31T10:10:13,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB/struc.xyz' 2025-08-31T10:10:13,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA/struc.xyz' 2025-08-31T10:10:13,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz' 2025-08-31T10:10:13,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB/struc.xyz' 2025-08-31T10:10:13,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz' 2025-08-31T10:10:13,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz' 2025-08-31T10:10:13,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz' 2025-08-31T10:10:13,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz' 2025-08-31T10:10:13,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz' 2025-08-31T10:10:13,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz' 2025-08-31T10:10:13,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz' 2025-08-31T10:10:13,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz' 2025-08-31T10:10:13,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz' 2025-08-31T10:10:13,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz' 2025-08-31T10:10:13,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz' 2025-08-31T10:10:13,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz' 2025-08-31T10:10:13,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz' 2025-08-31T10:10:13,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz' 2025-08-31T10:10:13,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz' 2025-08-31T10:10:13,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz' 2025-08-31T10:10:13,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz' 2025-08-31T10:10:13,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz' 2025-08-31T10:10:13,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz' 2025-08-31T10:10:13,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz' 2025-08-31T10:10:13,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz' 2025-08-31T10:10:13,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz' 2025-08-31T10:10:13,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz' 2025-08-31T10:10:13,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz' 2025-08-31T10:10:13,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz' 2025-08-31T10:10:13,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz' 2025-08-31T10:10:13,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz' 2025-08-31T10:10:13,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz' 2025-08-31T10:10:13,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz' 2025-08-31T10:10:13,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz' 2025-08-31T10:10:13,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz' 2025-08-31T10:10:13,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz' 2025-08-31T10:10:13,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz' 2025-08-31T10:10:13,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz' 2025-08-31T10:10:13,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz' 2025-08-31T10:10:13,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz' 2025-08-31T10:10:13,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr/struc.xyz' 2025-08-31T10:10:13,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz' 2025-08-31T10:10:13,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe/struc.xyz' 2025-08-31T10:10:13,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH/struc.xyz' 2025-08-31T10:10:13,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3/struc.xyz' 2025-08-31T10:10:13,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz' 2025-08-31T10:10:13,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz' 2025-08-31T10:10:13,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH/struc.xyz' 2025-08-31T10:10:13,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr/struc.xyz' 2025-08-31T10:10:13,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI/struc.xyz' 2025-08-31T10:10:13,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr/struc.xyz' 2025-08-31T10:10:13,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH/struc.xyz' 2025-08-31T10:10:13,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl/struc.xyz' 2025-08-31T10:10:13,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI/struc.xyz' 2025-08-31T10:10:13,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH/struc.xyz' 2025-08-31T10:10:13,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe/struc.xyz' 2025-08-31T10:10:13,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH/struc.xyz' 2025-08-31T10:10:13,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3/struc.xyz' 2025-08-31T10:10:13,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2/struc.xyz' 2025-08-31T10:10:13,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3/struc.xyz' 2025-08-31T10:10:13,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH/struc.xyz' 2025-08-31T10:10:13,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr/struc.xyz' 2025-08-31T10:10:13,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe/struc.xyz' 2025-08-31T10:10:13,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI/struc.xyz' 2025-08-31T10:10:13,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH/struc.xyz' 2025-08-31T10:10:13,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe/struc.xyz' 2025-08-31T10:10:13,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH/struc.xyz' 2025-08-31T10:10:13,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3/struc.xyz' 2025-08-31T10:10:13,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2/struc.xyz' 2025-08-31T10:10:13,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3/struc.xyz' 2025-08-31T10:10:13,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH/struc.xyz' 2025-08-31T10:10:13,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr/struc.xyz' 2025-08-31T10:10:13,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS/struc.xyz' 2025-08-31T10:10:13,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH/struc.xyz' 2025-08-31T10:10:13,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI/struc.xyz' 2025-08-31T10:10:13,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr/struc.xyz' 2025-08-31T10:10:13,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl/struc.xyz' 2025-08-31T10:10:13,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS/struc.xyz' 2025-08-31T10:10:13,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS/struc.xyz' 2025-08-31T10:10:13,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr/struc.xyz' 2025-08-31T10:10:13,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI/struc.xyz' 2025-08-31T10:10:13,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3/struc.xyz' 2025-08-31T10:10:13,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI/struc.xyz' 2025-08-31T10:10:13,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr/struc.xyz' 2025-08-31T10:10:13,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl/struc.xyz' 2025-08-31T10:10:13,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS/struc.xyz' 2025-08-31T10:10:13,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS/struc.xyz' 2025-08-31T10:10:13,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr/struc.xyz' 2025-08-31T10:10:13,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI/struc.xyz' 2025-08-31T10:10:13,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS/struc.xyz' 2025-08-31T10:10:13,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2/struc.xyz' 2025-08-31T10:10:13,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3/struc.xyz' 2025-08-31T10:10:13,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH/struc.xyz' 2025-08-31T10:10:13,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI/struc.xyz' 2025-08-31T10:10:13,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr/struc.xyz' 2025-08-31T10:10:13,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl/struc.xyz' 2025-08-31T10:10:13,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS/struc.xyz' 2025-08-31T10:10:13,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS/struc.xyz' 2025-08-31T10:10:13,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr/struc.xyz' 2025-08-31T10:10:13,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI/struc.xyz' 2025-08-31T10:10:13,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr/struc.xyz' 2025-08-31T10:10:13,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI/struc.xyz' 2025-08-31T10:10:13,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr/struc.xyz' 2025-08-31T10:10:13,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3/struc.xyz' 2025-08-31T10:10:13,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2/struc.xyz' 2025-08-31T10:10:13,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz' 2025-08-31T10:10:13,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz' 2025-08-31T10:10:13,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz' 2025-08-31T10:10:13,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz' 2025-08-31T10:10:13,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi/struc.xyz' 2025-08-31T10:10:13,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz' 2025-08-31T10:10:13,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o/struc.xyz' 2025-08-31T10:10:13,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s/struc.xyz' 2025-08-31T10:10:13,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr/struc.xyz' 2025-08-31T10:10:13,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl/struc.xyz' 2025-08-31T10:10:13,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi/struc.xyz' 2025-08-31T10:10:13,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3/struc.xyz' 2025-08-31T10:10:13,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4/struc.xyz' 2025-08-31T10:10:13,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2/struc.xyz' 2025-08-31T10:10:13,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz' 2025-08-31T10:10:13,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz' 2025-08-31T10:10:13,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz' 2025-08-31T10:10:13,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz' 2025-08-31T10:10:13,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz' 2025-08-31T10:10:13,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz' 2025-08-31T10:10:13,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3/struc.xyz' 2025-08-31T10:10:13,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2/struc.xyz' 2025-08-31T10:10:13,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz' 2025-08-31T10:10:13,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz' 2025-08-31T10:10:13,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz' 2025-08-31T10:10:13,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz' 2025-08-31T10:10:13,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz' 2025-08-31T10:10:13,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz' 2025-08-31T10:10:13,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2/struc.xyz' 2025-08-31T10:10:13,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2/struc.xyz' 2025-08-31T10:10:13,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz' 2025-08-31T10:10:13,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz' 2025-08-31T10:10:13,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz' 2025-08-31T10:10:13,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz' 2025-08-31T10:10:13,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi/struc.xyz' 2025-08-31T10:10:13,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz' 2025-08-31T10:10:13,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4/struc.xyz' 2025-08-31T10:10:13,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2/struc.xyz' 2025-08-31T10:10:13,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br/struc.xyz' 2025-08-31T10:10:13,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2/struc.xyz' 2025-08-31T10:10:13,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl/struc.xyz' 2025-08-31T10:10:13,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2/struc.xyz' 2025-08-31T10:10:13,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz' 2025-08-31T10:10:13,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3/struc.xyz' 2025-08-31T10:10:13,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2/struc.xyz' 2025-08-31T10:10:13,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2/struc.xyz' 2025-08-31T10:10:13,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4/struc.xyz' 2025-08-31T10:10:13,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz' 2025-08-31T10:10:13,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3/struc.xyz' 2025-08-31T10:10:13,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2/struc.xyz' 2025-08-31T10:10:13,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz' 2025-08-31T10:10:13,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2/struc.xyz' 2025-08-31T10:10:13,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh/struc.xyz' 2025-08-31T10:10:13,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh/struc.xyz' 2025-08-31T10:10:13,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz' 2025-08-31T10:10:13,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3/struc.xyz' 2025-08-31T10:10:13,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2/struc.xyz' 2025-08-31T10:10:13,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme/struc.xyz' 2025-08-31T10:10:13,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1/struc.xyz' 2025-08-31T10:10:13,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2/struc.xyz' 2025-08-31T10:10:13,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3/struc.xyz' 2025-08-31T10:10:13,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1/struc.xyz' 2025-08-31T10:10:13,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2/struc.xyz' 2025-08-31T10:10:13,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3/struc.xyz' 2025-08-31T10:10:13,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4/struc.xyz' 2025-08-31T10:10:13,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1/struc.xyz' 2025-08-31T10:10:13,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2/struc.xyz' 2025-08-31T10:10:13,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3/struc.xyz' 2025-08-31T10:10:13,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1/struc.xyz' 2025-08-31T10:10:13,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2/struc.xyz' 2025-08-31T10:10:13,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1/struc.xyz' 2025-08-31T10:10:13,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2/struc.xyz' 2025-08-31T10:10:13,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3/struc.xyz' 2025-08-31T10:10:13,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1/struc.xyz' 2025-08-31T10:10:13,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2/struc.xyz' 2025-08-31T10:10:13,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1/struc.xyz' 2025-08-31T10:10:13,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2/struc.xyz' 2025-08-31T10:10:13,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1/struc.xyz' 2025-08-31T10:10:13,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2/struc.xyz' 2025-08-31T10:10:13,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1/struc.xyz' 2025-08-31T10:10:13,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2/struc.xyz' 2025-08-31T10:10:13,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3/struc.xyz' 2025-08-31T10:10:13,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4/struc.xyz' 2025-08-31T10:10:13,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1/struc.xyz' 2025-08-31T10:10:13,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2/struc.xyz' 2025-08-31T10:10:13,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f/struc.xyz' 2025-08-31T10:10:13,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l/struc.xyz' 2025-08-31T10:10:13,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f/struc.xyz' 2025-08-31T10:10:13,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l/struc.xyz' 2025-08-31T10:10:13,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant/struc.xyz' 2025-08-31T10:10:13,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer/struc.xyz' 2025-08-31T10:10:13,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2/struc.xyz' 2025-08-31T10:10:13,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1/struc.xyz' 2025-08-31T10:10:13,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2/struc.xyz' 2025-08-31T10:10:13,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22/struc.xyz' 2025-08-31T10:10:13,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene/struc.xyz' 2025-08-31T10:10:13,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1/struc.xyz' 2025-08-31T10:10:13,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2/struc.xyz' 2025-08-31T10:10:13,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008/struc.xyz' 2025-08-31T10:10:13,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A/struc.xyz' 2025-08-31T10:10:13,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B/struc.xyz' 2025-08-31T10:10:13,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144/struc.xyz' 2025-08-31T10:10:13,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A/struc.xyz' 2025-08-31T10:10:13,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B/struc.xyz' 2025-08-31T10:10:13,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147/struc.xyz' 2025-08-31T10:10:13,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A/struc.xyz' 2025-08-31T10:10:13,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B/struc.xyz' 2025-08-31T10:10:13,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148/struc.xyz' 2025-08-31T10:10:13,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A/struc.xyz' 2025-08-31T10:10:13,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B/struc.xyz' 2025-08-31T10:10:13,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150/struc.xyz' 2025-08-31T10:10:13,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A/struc.xyz' 2025-08-31T10:10:13,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B/struc.xyz' 2025-08-31T10:10:13,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152/struc.xyz' 2025-08-31T10:10:13,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A/struc.xyz' 2025-08-31T10:10:13,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B/struc.xyz' 2025-08-31T10:10:13,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187/struc.xyz' 2025-08-31T10:10:13,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A/struc.xyz' 2025-08-31T10:10:13,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B/struc.xyz' 2025-08-31T10:10:13,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202/struc.xyz' 2025-08-31T10:10:13,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A/struc.xyz' 2025-08-31T10:10:13,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B/struc.xyz' 2025-08-31T10:10:13,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212/struc.xyz' 2025-08-31T10:10:13,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A/struc.xyz' 2025-08-31T10:10:13,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B/struc.xyz' 2025-08-31T10:10:13,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213/struc.xyz' 2025-08-31T10:10:14,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A/struc.xyz' 2025-08-31T10:10:14,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B/struc.xyz' 2025-08-31T10:10:14,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214/struc.xyz' 2025-08-31T10:10:14,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A/struc.xyz' 2025-08-31T10:10:14,007 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B/struc.xyz' 2025-08-31T10:10:14,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227/struc.xyz' 2025-08-31T10:10:14,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A/struc.xyz' 2025-08-31T10:10:14,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B/struc.xyz' 2025-08-31T10:10:14,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228/struc.xyz' 2025-08-31T10:10:14,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A/struc.xyz' 2025-08-31T10:10:14,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B/struc.xyz' 2025-08-31T10:10:14,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229/struc.xyz' 2025-08-31T10:10:14,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A/struc.xyz' 2025-08-31T10:10:14,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B/struc.xyz' 2025-08-31T10:10:14,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230/struc.xyz' 2025-08-31T10:10:14,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A/struc.xyz' 2025-08-31T10:10:14,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B/struc.xyz' 2025-08-31T10:10:14,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231/struc.xyz' 2025-08-31T10:10:14,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A/struc.xyz' 2025-08-31T10:10:14,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B/struc.xyz' 2025-08-31T10:10:14,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene/struc.xyz' 2025-08-31T10:10:14,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz' 2025-08-31T10:10:14,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene/struc.xyz' 2025-08-31T10:10:14,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz' 2025-08-31T10:10:14,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene/struc.xyz' 2025-08-31T10:10:14,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS/struc.xyz' 2025-08-31T10:10:14,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz' 2025-08-31T10:10:14,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz' 2025-08-31T10:10:14,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz' 2025-08-31T10:10:14,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz' 2025-08-31T10:10:14,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether/struc.xyz' 2025-08-31T10:10:14,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS/struc.xyz' 2025-08-31T10:10:14,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O/struc.xyz' 2025-08-31T10:10:14,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS/struc.xyz' 2025-08-31T10:10:14,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S/struc.xyz' 2025-08-31T10:10:14,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS/struc.xyz' 2025-08-31T10:10:14,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene/struc.xyz' 2025-08-31T10:10:14,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz' 2025-08-31T10:10:14,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine/struc.xyz' 2025-08-31T10:10:14,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz' 2025-08-31T10:10:14,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3/struc.xyz' 2025-08-31T10:10:14,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS/struc.xyz' 2025-08-31T10:10:14,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3/struc.xyz' 2025-08-31T10:10:14,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS/struc.xyz' 2025-08-31T10:10:14,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3/struc.xyz' 2025-08-31T10:10:14,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS/struc.xyz' 2025-08-31T10:10:14,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph/struc.xyz' 2025-08-31T10:10:14,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS/struc.xyz' 2025-08-31T10:10:14,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3/struc.xyz' 2025-08-31T10:10:14,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS/struc.xyz' 2025-08-31T10:10:14,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3/struc.xyz' 2025-08-31T10:10:14,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS/struc.xyz' 2025-08-31T10:10:14,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene/struc.xyz' 2025-08-31T10:10:14,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz' 2025-08-31T10:10:14,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2/struc.xyz' 2025-08-31T10:10:14,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS/struc.xyz' 2025-08-31T10:10:14,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene/struc.xyz' 2025-08-31T10:10:14,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS/struc.xyz' 2025-08-31T10:10:14,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz' 2025-08-31T10:10:14,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz' 2025-08-31T10:10:14,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene/struc.xyz' 2025-08-31T10:10:14,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz' 2025-08-31T10:10:14,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether/struc.xyz' 2025-08-31T10:10:14,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS/struc.xyz' 2025-08-31T10:10:14,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene/struc.xyz' 2025-08-31T10:10:14,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz' 2025-08-31T10:10:14,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz' 2025-08-31T10:10:14,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz' 2025-08-31T10:10:14,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1/struc.xyz' 2025-08-31T10:10:14,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10/struc.xyz' 2025-08-31T10:10:14,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11/struc.xyz' 2025-08-31T10:10:14,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12/struc.xyz' 2025-08-31T10:10:14,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13/struc.xyz' 2025-08-31T10:10:14,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14/struc.xyz' 2025-08-31T10:10:14,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15/struc.xyz' 2025-08-31T10:10:14,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16/struc.xyz' 2025-08-31T10:10:14,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17/struc.xyz' 2025-08-31T10:10:14,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18/struc.xyz' 2025-08-31T10:10:14,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19/struc.xyz' 2025-08-31T10:10:14,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20/struc.xyz' 2025-08-31T10:10:14,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21/struc.xyz' 2025-08-31T10:10:14,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22/struc.xyz' 2025-08-31T10:10:14,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23/struc.xyz' 2025-08-31T10:10:14,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24/struc.xyz' 2025-08-31T10:10:14,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25/struc.xyz' 2025-08-31T10:10:14,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26/struc.xyz' 2025-08-31T10:10:14,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27/struc.xyz' 2025-08-31T10:10:14,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28/struc.xyz' 2025-08-31T10:10:14,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29/struc.xyz' 2025-08-31T10:10:14,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3/struc.xyz' 2025-08-31T10:10:14,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30/struc.xyz' 2025-08-31T10:10:14,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31/struc.xyz' 2025-08-31T10:10:14,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32/struc.xyz' 2025-08-31T10:10:14,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33/struc.xyz' 2025-08-31T10:10:14,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34/struc.xyz' 2025-08-31T10:10:14,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4/struc.xyz' 2025-08-31T10:10:14,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5/struc.xyz' 2025-08-31T10:10:14,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7/struc.xyz' 2025-08-31T10:10:14,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8/struc.xyz' 2025-08-31T10:10:14,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9/struc.xyz' 2025-08-31T10:10:14,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1/struc.xyz' 2025-08-31T10:10:14,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10/struc.xyz' 2025-08-31T10:10:14,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11/struc.xyz' 2025-08-31T10:10:14,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12/struc.xyz' 2025-08-31T10:10:14,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13/struc.xyz' 2025-08-31T10:10:14,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14/struc.xyz' 2025-08-31T10:10:14,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15/struc.xyz' 2025-08-31T10:10:14,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16/struc.xyz' 2025-08-31T10:10:14,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17/struc.xyz' 2025-08-31T10:10:14,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18/struc.xyz' 2025-08-31T10:10:14,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2/struc.xyz' 2025-08-31T10:10:14,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20/struc.xyz' 2025-08-31T10:10:14,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21/struc.xyz' 2025-08-31T10:10:14,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23/struc.xyz' 2025-08-31T10:10:14,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24/struc.xyz' 2025-08-31T10:10:14,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25/struc.xyz' 2025-08-31T10:10:14,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26/struc.xyz' 2025-08-31T10:10:14,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27/struc.xyz' 2025-08-31T10:10:14,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28/struc.xyz' 2025-08-31T10:10:14,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29/struc.xyz' 2025-08-31T10:10:14,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3/struc.xyz' 2025-08-31T10:10:14,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30/struc.xyz' 2025-08-31T10:10:14,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31/struc.xyz' 2025-08-31T10:10:14,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32/struc.xyz' 2025-08-31T10:10:14,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33/struc.xyz' 2025-08-31T10:10:14,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34/struc.xyz' 2025-08-31T10:10:14,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4/struc.xyz' 2025-08-31T10:10:14,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6/struc.xyz' 2025-08-31T10:10:14,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7/struc.xyz' 2025-08-31T10:10:14,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8/struc.xyz' 2025-08-31T10:10:14,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9/struc.xyz' 2025-08-31T10:10:14,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e/struc.xyz' 2025-08-31T10:10:14,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p/struc.xyz' 2025-08-31T10:10:14,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e/struc.xyz' 2025-08-31T10:10:14,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p/struc.xyz' 2025-08-31T10:10:14,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e/struc.xyz' 2025-08-31T10:10:14,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p/struc.xyz' 2025-08-31T10:10:14,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e/struc.xyz' 2025-08-31T10:10:14,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p/struc.xyz' 2025-08-31T10:10:14,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e/struc.xyz' 2025-08-31T10:10:14,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p/struc.xyz' 2025-08-31T10:10:14,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e/struc.xyz' 2025-08-31T10:10:14,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p/struc.xyz' 2025-08-31T10:10:14,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e/struc.xyz' 2025-08-31T10:10:14,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p/struc.xyz' 2025-08-31T10:10:14,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e/struc.xyz' 2025-08-31T10:10:14,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p/struc.xyz' 2025-08-31T10:10:14,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e/struc.xyz' 2025-08-31T10:10:14,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p/struc.xyz' 2025-08-31T10:10:14,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e/struc.xyz' 2025-08-31T10:10:14,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p/struc.xyz' 2025-08-31T10:10:14,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e/struc.xyz' 2025-08-31T10:10:14,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p/struc.xyz' 2025-08-31T10:10:14,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e/struc.xyz' 2025-08-31T10:10:14,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p/struc.xyz' 2025-08-31T10:10:14,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e/struc.xyz' 2025-08-31T10:10:14,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p/struc.xyz' 2025-08-31T10:10:14,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e/struc.xyz' 2025-08-31T10:10:14,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p/struc.xyz' 2025-08-31T10:10:14,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e/struc.xyz' 2025-08-31T10:10:14,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p/struc.xyz' 2025-08-31T10:10:14,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e/struc.xyz' 2025-08-31T10:10:14,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p/struc.xyz' 2025-08-31T10:10:14,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e/struc.xyz' 2025-08-31T10:10:14,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p/struc.xyz' 2025-08-31T10:10:14,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e/struc.xyz' 2025-08-31T10:10:14,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p/struc.xyz' 2025-08-31T10:10:14,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e/struc.xyz' 2025-08-31T10:10:14,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p/struc.xyz' 2025-08-31T10:10:14,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e/struc.xyz' 2025-08-31T10:10:14,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p/struc.xyz' 2025-08-31T10:10:14,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e/struc.xyz' 2025-08-31T10:10:14,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p/struc.xyz' 2025-08-31T10:10:14,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e/struc.xyz' 2025-08-31T10:10:14,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p/struc.xyz' 2025-08-31T10:10:14,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e/struc.xyz' 2025-08-31T10:10:14,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p/struc.xyz' 2025-08-31T10:10:14,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e/struc.xyz' 2025-08-31T10:10:14,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p/struc.xyz' 2025-08-31T10:10:14,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01/struc.xyz' 2025-08-31T10:10:14,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02/struc.xyz' 2025-08-31T10:10:14,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03/struc.xyz' 2025-08-31T10:10:14,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04/struc.xyz' 2025-08-31T10:10:14,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05/struc.xyz' 2025-08-31T10:10:14,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06/struc.xyz' 2025-08-31T10:10:14,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07/struc.xyz' 2025-08-31T10:10:14,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08/struc.xyz' 2025-08-31T10:10:14,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09/struc.xyz' 2025-08-31T10:10:14,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10/struc.xyz' 2025-08-31T10:10:14,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11/struc.xyz' 2025-08-31T10:10:14,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12/struc.xyz' 2025-08-31T10:10:14,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13/struc.xyz' 2025-08-31T10:10:14,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14/struc.xyz' 2025-08-31T10:10:14,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15/struc.xyz' 2025-08-31T10:10:14,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16/struc.xyz' 2025-08-31T10:10:14,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17/struc.xyz' 2025-08-31T10:10:14,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18/struc.xyz' 2025-08-31T10:10:14,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19/struc.xyz' 2025-08-31T10:10:14,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20/struc.xyz' 2025-08-31T10:10:14,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21/struc.xyz' 2025-08-31T10:10:14,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22/struc.xyz' 2025-08-31T10:10:14,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23/struc.xyz' 2025-08-31T10:10:14,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24/struc.xyz' 2025-08-31T10:10:14,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25/struc.xyz' 2025-08-31T10:10:14,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26/struc.xyz' 2025-08-31T10:10:14,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27/struc.xyz' 2025-08-31T10:10:14,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28/struc.xyz' 2025-08-31T10:10:14,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29/struc.xyz' 2025-08-31T10:10:14,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30/struc.xyz' 2025-08-31T10:10:14,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31/struc.xyz' 2025-08-31T10:10:14,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32/struc.xyz' 2025-08-31T10:10:14,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33/struc.xyz' 2025-08-31T10:10:14,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34/struc.xyz' 2025-08-31T10:10:14,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35/struc.xyz' 2025-08-31T10:10:14,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36/struc.xyz' 2025-08-31T10:10:14,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37/struc.xyz' 2025-08-31T10:10:14,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38/struc.xyz' 2025-08-31T10:10:14,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39/struc.xyz' 2025-08-31T10:10:14,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40/struc.xyz' 2025-08-31T10:10:14,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41/struc.xyz' 2025-08-31T10:10:14,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42/struc.xyz' 2025-08-31T10:10:14,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43/struc.xyz' 2025-08-31T10:10:14,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3/struc.xyz' 2025-08-31T10:10:14,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3/struc.xyz' 2025-08-31T10:10:14,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2/struc.xyz' 2025-08-31T10:10:14,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4/struc.xyz' 2025-08-31T10:10:14,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2/struc.xyz' 2025-08-31T10:10:14,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2/struc.xyz' 2025-08-31T10:10:14,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2/struc.xyz' 2025-08-31T10:10:14,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH/struc.xyz' 2025-08-31T10:10:14,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2/struc.xyz' 2025-08-31T10:10:14,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2/struc.xyz' 2025-08-31T10:10:14,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH/struc.xyz' 2025-08-31T10:10:14,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2/struc.xyz' 2025-08-31T10:10:14,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2/struc.xyz' 2025-08-31T10:10:14,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2/struc.xyz' 2025-08-31T10:10:14,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4/struc.xyz' 2025-08-31T10:10:14,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1/struc.xyz' 2025-08-31T10:10:14,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10/struc.xyz' 2025-08-31T10:10:14,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11/struc.xyz' 2025-08-31T10:10:14,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12/struc.xyz' 2025-08-31T10:10:14,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13/struc.xyz' 2025-08-31T10:10:14,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14/struc.xyz' 2025-08-31T10:10:14,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15/struc.xyz' 2025-08-31T10:10:14,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16/struc.xyz' 2025-08-31T10:10:14,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17/struc.xyz' 2025-08-31T10:10:14,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18/struc.xyz' 2025-08-31T10:10:14,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19/struc.xyz' 2025-08-31T10:10:14,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2/struc.xyz' 2025-08-31T10:10:14,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20/struc.xyz' 2025-08-31T10:10:14,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21/struc.xyz' 2025-08-31T10:10:14,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22/struc.xyz' 2025-08-31T10:10:14,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23/struc.xyz' 2025-08-31T10:10:14,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24/struc.xyz' 2025-08-31T10:10:14,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25/struc.xyz' 2025-08-31T10:10:14,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26/struc.xyz' 2025-08-31T10:10:14,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27/struc.xyz' 2025-08-31T10:10:14,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28/struc.xyz' 2025-08-31T10:10:14,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29/struc.xyz' 2025-08-31T10:10:14,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3/struc.xyz' 2025-08-31T10:10:14,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30/struc.xyz' 2025-08-31T10:10:14,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31/struc.xyz' 2025-08-31T10:10:14,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32/struc.xyz' 2025-08-31T10:10:14,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33/struc.xyz' 2025-08-31T10:10:14,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34/struc.xyz' 2025-08-31T10:10:14,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35/struc.xyz' 2025-08-31T10:10:14,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36/struc.xyz' 2025-08-31T10:10:14,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37/struc.xyz' 2025-08-31T10:10:14,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38/struc.xyz' 2025-08-31T10:10:14,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39/struc.xyz' 2025-08-31T10:10:14,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4/struc.xyz' 2025-08-31T10:10:14,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40/struc.xyz' 2025-08-31T10:10:14,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41/struc.xyz' 2025-08-31T10:10:14,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42/struc.xyz' 2025-08-31T10:10:14,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43/struc.xyz' 2025-08-31T10:10:14,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44/struc.xyz' 2025-08-31T10:10:14,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45/struc.xyz' 2025-08-31T10:10:14,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46/struc.xyz' 2025-08-31T10:10:14,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47/struc.xyz' 2025-08-31T10:10:14,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48/struc.xyz' 2025-08-31T10:10:14,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49/struc.xyz' 2025-08-31T10:10:14,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5/struc.xyz' 2025-08-31T10:10:14,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50/struc.xyz' 2025-08-31T10:10:14,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51/struc.xyz' 2025-08-31T10:10:14,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52/struc.xyz' 2025-08-31T10:10:14,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6/struc.xyz' 2025-08-31T10:10:14,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7/struc.xyz' 2025-08-31T10:10:14,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8/struc.xyz' 2025-08-31T10:10:14,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9/struc.xyz' 2025-08-31T10:10:14,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3/struc.xyz' 2025-08-31T10:10:14,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz' 2025-08-31T10:10:14,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3/struc.xyz' 2025-08-31T10:10:14,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3/struc.xyz' 2025-08-31T10:10:14,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3/struc.xyz' 2025-08-31T10:10:14,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3/struc.xyz' 2025-08-31T10:10:14,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2/struc.xyz' 2025-08-31T10:10:14,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl/struc.xyz' 2025-08-31T10:10:14,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F/struc.xyz' 2025-08-31T10:10:14,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H/struc.xyz' 2025-08-31T10:10:14,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3/struc.xyz' 2025-08-31T10:10:14,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3/struc.xyz' 2025-08-31T10:10:14,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3/struc.xyz' 2025-08-31T10:10:14,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz/struc.xyz' 2025-08-31T10:10:14,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut/struc.xyz' 2025-08-31T10:10:14,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch/struc.xyz' 2025-08-31T10:10:14,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2/struc.xyz' 2025-08-31T10:10:14,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh/struc.xyz' 2025-08-31T10:10:14,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2/struc.xyz' 2025-08-31T10:10:14,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3/struc.xyz' 2025-08-31T10:10:14,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3/struc.xyz' 2025-08-31T10:10:14,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A/struc.xyz' 2025-08-31T10:10:14,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap/struc.xyz' 2025-08-31T10:10:14,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C/struc.xyz' 2025-08-31T10:10:14,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp/struc.xyz' 2025-08-31T10:10:14,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G/struc.xyz' 2025-08-31T10:10:14,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp/struc.xyz' 2025-08-31T10:10:14,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T/struc.xyz' 2025-08-31T10:10:14,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp/struc.xyz' 2025-08-31T10:10:14,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass/struc.xyz' 2025-08-31T10:10:14,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp/struc.xyz' 2025-08-31T10:10:14,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6/struc.xyz' 2025-08-31T10:10:14,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p/struc.xyz' 2025-08-31T10:10:14,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2/struc.xyz' 2025-08-31T10:10:14,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p/struc.xyz' 2025-08-31T10:10:14,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s/struc.xyz' 2025-08-31T10:10:14,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp/struc.xyz' 2025-08-31T10:10:14,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh/struc.xyz' 2025-08-31T10:10:14,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp/struc.xyz' 2025-08-31T10:10:14,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys/struc.xyz' 2025-08-31T10:10:14,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp/struc.xyz' 2025-08-31T10:10:14,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol/struc.xyz' 2025-08-31T10:10:14,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp/struc.xyz' 2025-08-31T10:10:14,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly/struc.xyz' 2025-08-31T10:10:14,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp/struc.xyz' 2025-08-31T10:10:14,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2/struc.xyz' 2025-08-31T10:10:14,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o/struc.xyz' 2025-08-31T10:10:14,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op/struc.xyz' 2025-08-31T10:10:14,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p/struc.xyz' 2025-08-31T10:10:14,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s/struc.xyz' 2025-08-31T10:10:14,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp/struc.xyz' 2025-08-31T10:10:14,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl/struc.xyz' 2025-08-31T10:10:14,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp/struc.xyz' 2025-08-31T10:10:14,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3/struc.xyz' 2025-08-31T10:10:14,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p/struc.xyz' 2025-08-31T10:10:14,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2/struc.xyz' 2025-08-31T10:10:14,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p/struc.xyz' 2025-08-31T10:10:14,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4/struc.xyz' 2025-08-31T10:10:14,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p/struc.xyz' 2025-08-31T10:10:14,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6/struc.xyz' 2025-08-31T10:10:14,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p/struc.xyz' 2025-08-31T10:10:14,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8/struc.xyz' 2025-08-31T10:10:14,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p/struc.xyz' 2025-08-31T10:10:14,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3/struc.xyz' 2025-08-31T10:10:14,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p/struc.xyz' 2025-08-31T10:10:14,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol/struc.xyz' 2025-08-31T10:10:14,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp/struc.xyz' 2025-08-31T10:10:14,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol/struc.xyz' 2025-08-31T10:10:14,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp/struc.xyz' 2025-08-31T10:10:14,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6/struc.xyz' 2025-08-31T10:10:14,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p/struc.xyz' 2025-08-31T10:10:14,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4/struc.xyz' 2025-08-31T10:10:14,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p/struc.xyz' 2025-08-31T10:10:14,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0/struc.xyz' 2025-08-31T10:10:14,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1/struc.xyz' 2025-08-31T10:10:14,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2/struc.xyz' 2025-08-31T10:10:14,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0/struc.xyz' 2025-08-31T10:10:14,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1/struc.xyz' 2025-08-31T10:10:14,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2/struc.xyz' 2025-08-31T10:10:14,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3/struc.xyz' 2025-08-31T10:10:14,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1/struc.xyz' 2025-08-31T10:10:14,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2/struc.xyz' 2025-08-31T10:10:14,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3/struc.xyz' 2025-08-31T10:10:14,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0/struc.xyz' 2025-08-31T10:10:14,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2/struc.xyz' 2025-08-31T10:10:14,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41/struc.xyz' 2025-08-31T10:10:14,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42/struc.xyz' 2025-08-31T10:10:14,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43/struc.xyz' 2025-08-31T10:10:14,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41/struc.xyz' 2025-08-31T10:10:14,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42/struc.xyz' 2025-08-31T10:10:14,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71/struc.xyz' 2025-08-31T10:10:14,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72/struc.xyz' 2025-08-31T10:10:14,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71/struc.xyz' 2025-08-31T10:10:14,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72/struc.xyz' 2025-08-31T10:10:14,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0/struc.xyz' 2025-08-31T10:10:14,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1/struc.xyz' 2025-08-31T10:10:14,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2/struc.xyz' 2025-08-31T10:10:14,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3/struc.xyz' 2025-08-31T10:10:14,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41/struc.xyz' 2025-08-31T10:10:14,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42/struc.xyz' 2025-08-31T10:10:14,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0/struc.xyz' 2025-08-31T10:10:14,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2/struc.xyz' 2025-08-31T10:10:14,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3/struc.xyz' 2025-08-31T10:10:14,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4/struc.xyz' 2025-08-31T10:10:14,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114/struc.xyz' 2025-08-31T10:10:14,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215/struc.xyz' 2025-08-31T10:10:14,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224/struc.xyz' 2025-08-31T10:10:14,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300/struc.xyz' 2025-08-31T10:10:14,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357/struc.xyz' 2025-08-31T10:10:14,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366/struc.xyz' 2025-08-31T10:10:14,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412/struc.xyz' 2025-08-31T10:10:14,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444/struc.xyz' 2025-08-31T10:10:14,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470/struc.xyz' 2025-08-31T10:10:14,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691/struc.xyz' 2025-08-31T10:10:14,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99/struc.xyz' 2025-08-31T10:10:14,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL/struc.xyz' 2025-08-31T10:10:14,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR/struc.xyz' 2025-08-31T10:10:14,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab/struc.xyz' 2025-08-31T10:10:14,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b/struc.xyz' 2025-08-31T10:10:14,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII/struc.xyz' 2025-08-31T10:10:14,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL/struc.xyz' 2025-08-31T10:10:14,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR/struc.xyz' 2025-08-31T10:10:14,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab/struc.xyz' 2025-08-31T10:10:14,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b/struc.xyz' 2025-08-31T10:10:14,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII/struc.xyz' 2025-08-31T10:10:14,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1/struc.xyz' 2025-08-31T10:10:14,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10/struc.xyz' 2025-08-31T10:10:14,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a/struc.xyz' 2025-08-31T10:10:14,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b/struc.xyz' 2025-08-31T10:10:14,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11/struc.xyz' 2025-08-31T10:10:14,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a/struc.xyz' 2025-08-31T10:10:14,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b/struc.xyz' 2025-08-31T10:10:14,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12/struc.xyz' 2025-08-31T10:10:14,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a/struc.xyz' 2025-08-31T10:10:14,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b/struc.xyz' 2025-08-31T10:10:14,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13/struc.xyz' 2025-08-31T10:10:14,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a/struc.xyz' 2025-08-31T10:10:14,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b/struc.xyz' 2025-08-31T10:10:14,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14/struc.xyz' 2025-08-31T10:10:14,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a/struc.xyz' 2025-08-31T10:10:14,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b/struc.xyz' 2025-08-31T10:10:14,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15/struc.xyz' 2025-08-31T10:10:14,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a/struc.xyz' 2025-08-31T10:10:14,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b/struc.xyz' 2025-08-31T10:10:14,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16/struc.xyz' 2025-08-31T10:10:14,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a/struc.xyz' 2025-08-31T10:10:14,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b/struc.xyz' 2025-08-31T10:10:14,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17/struc.xyz' 2025-08-31T10:10:14,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a/struc.xyz' 2025-08-31T10:10:14,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b/struc.xyz' 2025-08-31T10:10:14,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18/struc.xyz' 2025-08-31T10:10:14,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a/struc.xyz' 2025-08-31T10:10:14,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b/struc.xyz' 2025-08-31T10:10:14,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19/struc.xyz' 2025-08-31T10:10:14,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a/struc.xyz' 2025-08-31T10:10:14,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b/struc.xyz' 2025-08-31T10:10:14,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a/struc.xyz' 2025-08-31T10:10:14,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b/struc.xyz' 2025-08-31T10:10:14,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2/struc.xyz' 2025-08-31T10:10:14,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20/struc.xyz' 2025-08-31T10:10:14,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a/struc.xyz' 2025-08-31T10:10:14,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b/struc.xyz' 2025-08-31T10:10:14,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21/struc.xyz' 2025-08-31T10:10:14,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a/struc.xyz' 2025-08-31T10:10:14,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b/struc.xyz' 2025-08-31T10:10:14,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22/struc.xyz' 2025-08-31T10:10:14,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a/struc.xyz' 2025-08-31T10:10:14,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b/struc.xyz' 2025-08-31T10:10:14,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23/struc.xyz' 2025-08-31T10:10:14,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a/struc.xyz' 2025-08-31T10:10:14,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b/struc.xyz' 2025-08-31T10:10:14,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a/struc.xyz' 2025-08-31T10:10:14,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b/struc.xyz' 2025-08-31T10:10:14,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3/struc.xyz' 2025-08-31T10:10:14,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a/struc.xyz' 2025-08-31T10:10:14,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b/struc.xyz' 2025-08-31T10:10:14,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4/struc.xyz' 2025-08-31T10:10:14,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a/struc.xyz' 2025-08-31T10:10:14,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b/struc.xyz' 2025-08-31T10:10:14,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5/struc.xyz' 2025-08-31T10:10:14,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a/struc.xyz' 2025-08-31T10:10:14,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b/struc.xyz' 2025-08-31T10:10:14,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6/struc.xyz' 2025-08-31T10:10:14,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a/struc.xyz' 2025-08-31T10:10:14,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b/struc.xyz' 2025-08-31T10:10:14,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7/struc.xyz' 2025-08-31T10:10:14,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a/struc.xyz' 2025-08-31T10:10:14,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b/struc.xyz' 2025-08-31T10:10:14,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8/struc.xyz' 2025-08-31T10:10:14,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a/struc.xyz' 2025-08-31T10:10:14,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b/struc.xyz' 2025-08-31T10:10:14,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9/struc.xyz' 2025-08-31T10:10:14,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a/struc.xyz' 2025-08-31T10:10:14,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b/struc.xyz' 2025-08-31T10:10:14,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o/struc.xyz' 2025-08-31T10:10:14,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2/struc.xyz' 2025-08-31T10:10:14,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts/struc.xyz' 2025-08-31T10:10:14,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3/struc.xyz' 2025-08-31T10:10:14,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts/struc.xyz' 2025-08-31T10:10:14,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4/struc.xyz' 2025-08-31T10:10:14,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts/struc.xyz' 2025-08-31T10:10:14,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5/struc.xyz' 2025-08-31T10:10:14,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts/struc.xyz' 2025-08-31T10:10:14,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6/struc.xyz' 2025-08-31T10:10:14,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts/struc.xyz' 2025-08-31T10:10:14,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf/struc.xyz' 2025-08-31T10:10:14,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2/struc.xyz' 2025-08-31T10:10:14,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts/struc.xyz' 2025-08-31T10:10:14,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3/struc.xyz' 2025-08-31T10:10:14,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts/struc.xyz' 2025-08-31T10:10:14,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4/struc.xyz' 2025-08-31T10:10:14,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts/struc.xyz' 2025-08-31T10:10:14,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5/struc.xyz' 2025-08-31T10:10:14,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts/struc.xyz' 2025-08-31T10:10:14,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6/struc.xyz' 2025-08-31T10:10:14,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts/struc.xyz' 2025-08-31T10:10:14,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3/struc.xyz' 2025-08-31T10:10:14,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2/struc.xyz' 2025-08-31T10:10:14,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts/struc.xyz' 2025-08-31T10:10:14,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3/struc.xyz' 2025-08-31T10:10:14,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts/struc.xyz' 2025-08-31T10:10:14,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4/struc.xyz' 2025-08-31T10:10:14,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts/struc.xyz' 2025-08-31T10:10:14,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e/struc.xyz' 2025-08-31T10:10:14,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1/struc.xyz' 2025-08-31T10:10:14,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2/struc.xyz' 2025-08-31T10:10:14,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e/struc.xyz' 2025-08-31T10:10:14,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1/struc.xyz' 2025-08-31T10:10:14,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2/struc.xyz' 2025-08-31T10:10:14,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3/struc.xyz' 2025-08-31T10:10:14,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e/struc.xyz' 2025-08-31T10:10:14,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1/struc.xyz' 2025-08-31T10:10:14,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2/struc.xyz' 2025-08-31T10:10:14,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3/struc.xyz' 2025-08-31T10:10:14,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e/struc.xyz' 2025-08-31T10:10:14,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1/struc.xyz' 2025-08-31T10:10:14,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2/struc.xyz' 2025-08-31T10:10:14,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3/struc.xyz' 2025-08-31T10:10:14,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1/struc.xyz' 2025-08-31T10:10:14,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2/struc.xyz' 2025-08-31T10:10:14,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3/struc.xyz' 2025-08-31T10:10:14,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e/struc.xyz' 2025-08-31T10:10:14,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p/struc.xyz' 2025-08-31T10:10:14,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e/struc.xyz' 2025-08-31T10:10:14,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p/struc.xyz' 2025-08-31T10:10:14,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e/struc.xyz' 2025-08-31T10:10:14,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int/struc.xyz' 2025-08-31T10:10:14,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1/struc.xyz' 2025-08-31T10:10:14,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3/struc.xyz' 2025-08-31T10:10:14,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e/struc.xyz' 2025-08-31T10:10:14,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1/struc.xyz' 2025-08-31T10:10:14,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2/struc.xyz' 2025-08-31T10:10:14,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3/struc.xyz' 2025-08-31T10:10:14,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4/struc.xyz' 2025-08-31T10:10:14,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5/struc.xyz' 2025-08-31T10:10:14,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6/struc.xyz' 2025-08-31T10:10:14,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e/struc.xyz' 2025-08-31T10:10:14,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1/struc.xyz' 2025-08-31T10:10:14,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e/struc.xyz' 2025-08-31T10:10:14,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1/struc.xyz' 2025-08-31T10:10:14,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2/struc.xyz' 2025-08-31T10:10:14,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene/struc.xyz' 2025-08-31T10:10:14,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me/struc.xyz' 2025-08-31T10:10:14,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr/struc.xyz' 2025-08-31T10:10:14,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar/struc.xyz' 2025-08-31T10:10:14,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2/struc.xyz' 2025-08-31T10:10:14,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3/struc.xyz' 2025-08-31T10:10:14,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4/struc.xyz' 2025-08-31T10:10:14,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz/struc.xyz' 2025-08-31T10:10:14,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr/struc.xyz' 2025-08-31T10:10:14,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe/struc.xyz' 2025-08-31T10:10:14,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2/struc.xyz' 2025-08-31T10:10:14,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar/struc.xyz' 2025-08-31T10:10:14,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne/struc.xyz' 2025-08-31T10:10:14,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6/struc.xyz' 2025-08-31T10:10:14,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar/struc.xyz' 2025-08-31T10:10:14,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne/struc.xyz' 2025-08-31T10:10:14,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf/struc.xyz' 2025-08-31T10:10:14,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr/struc.xyz' 2025-08-31T10:10:14,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr/struc.xyz' 2025-08-31T10:10:14,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe/struc.xyz' 2025-08-31T10:10:14,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr/struc.xyz' 2025-08-31T10:10:14,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2/struc.xyz' 2025-08-31T10:10:14,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3/struc.xyz' 2025-08-31T10:10:14,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne/struc.xyz' 2025-08-31T10:10:14,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2/struc.xyz' 2025-08-31T10:10:14,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3/struc.xyz' 2025-08-31T10:10:14,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4/struc.xyz' 2025-08-31T10:10:14,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6/struc.xyz' 2025-08-31T10:10:14,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1/struc.xyz' 2025-08-31T10:10:14,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10/struc.xyz' 2025-08-31T10:10:14,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11/struc.xyz' 2025-08-31T10:10:14,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12/struc.xyz' 2025-08-31T10:10:14,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13/struc.xyz' 2025-08-31T10:10:14,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15/struc.xyz' 2025-08-31T10:10:14,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16/struc.xyz' 2025-08-31T10:10:14,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17/struc.xyz' 2025-08-31T10:10:14,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18/struc.xyz' 2025-08-31T10:10:14,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19/struc.xyz' 2025-08-31T10:10:14,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2/struc.xyz' 2025-08-31T10:10:14,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20/struc.xyz' 2025-08-31T10:10:14,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21/struc.xyz' 2025-08-31T10:10:14,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22/struc.xyz' 2025-08-31T10:10:15,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23/struc.xyz' 2025-08-31T10:10:15,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24/struc.xyz' 2025-08-31T10:10:15,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25/struc.xyz' 2025-08-31T10:10:15,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26/struc.xyz' 2025-08-31T10:10:15,007 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27/struc.xyz' 2025-08-31T10:10:15,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28/struc.xyz' 2025-08-31T10:10:15,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29/struc.xyz' 2025-08-31T10:10:15,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3/struc.xyz' 2025-08-31T10:10:15,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30/struc.xyz' 2025-08-31T10:10:15,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31/struc.xyz' 2025-08-31T10:10:15,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32/struc.xyz' 2025-08-31T10:10:15,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33/struc.xyz' 2025-08-31T10:10:15,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34/struc.xyz' 2025-08-31T10:10:15,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35/struc.xyz' 2025-08-31T10:10:15,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36/struc.xyz' 2025-08-31T10:10:15,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37/struc.xyz' 2025-08-31T10:10:15,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38/struc.xyz' 2025-08-31T10:10:15,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39/struc.xyz' 2025-08-31T10:10:15,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4/struc.xyz' 2025-08-31T10:10:15,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40/struc.xyz' 2025-08-31T10:10:15,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41/struc.xyz' 2025-08-31T10:10:15,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42/struc.xyz' 2025-08-31T10:10:15,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43/struc.xyz' 2025-08-31T10:10:15,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44/struc.xyz' 2025-08-31T10:10:15,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45/struc.xyz' 2025-08-31T10:10:15,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5/struc.xyz' 2025-08-31T10:10:15,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6/struc.xyz' 2025-08-31T10:10:15,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7/struc.xyz' 2025-08-31T10:10:15,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8/struc.xyz' 2025-08-31T10:10:15,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9/struc.xyz' 2025-08-31T10:10:15,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1/struc.xyz' 2025-08-31T10:10:15,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10/struc.xyz' 2025-08-31T10:10:15,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11/struc.xyz' 2025-08-31T10:10:15,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12/struc.xyz' 2025-08-31T10:10:15,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13/struc.xyz' 2025-08-31T10:10:15,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15/struc.xyz' 2025-08-31T10:10:15,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16/struc.xyz' 2025-08-31T10:10:15,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17/struc.xyz' 2025-08-31T10:10:15,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18/struc.xyz' 2025-08-31T10:10:15,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19/struc.xyz' 2025-08-31T10:10:15,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2/struc.xyz' 2025-08-31T10:10:15,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20/struc.xyz' 2025-08-31T10:10:15,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21/struc.xyz' 2025-08-31T10:10:15,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22/struc.xyz' 2025-08-31T10:10:15,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23/struc.xyz' 2025-08-31T10:10:15,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24/struc.xyz' 2025-08-31T10:10:15,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25/struc.xyz' 2025-08-31T10:10:15,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26/struc.xyz' 2025-08-31T10:10:15,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27/struc.xyz' 2025-08-31T10:10:15,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28/struc.xyz' 2025-08-31T10:10:15,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29/struc.xyz' 2025-08-31T10:10:15,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3/struc.xyz' 2025-08-31T10:10:15,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30/struc.xyz' 2025-08-31T10:10:15,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31/struc.xyz' 2025-08-31T10:10:15,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32/struc.xyz' 2025-08-31T10:10:15,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33/struc.xyz' 2025-08-31T10:10:15,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34/struc.xyz' 2025-08-31T10:10:15,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35/struc.xyz' 2025-08-31T10:10:15,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36/struc.xyz' 2025-08-31T10:10:15,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37/struc.xyz' 2025-08-31T10:10:15,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38/struc.xyz' 2025-08-31T10:10:15,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39/struc.xyz' 2025-08-31T10:10:15,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4/struc.xyz' 2025-08-31T10:10:15,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40/struc.xyz' 2025-08-31T10:10:15,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41/struc.xyz' 2025-08-31T10:10:15,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42/struc.xyz' 2025-08-31T10:10:15,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43/struc.xyz' 2025-08-31T10:10:15,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44/struc.xyz' 2025-08-31T10:10:15,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45/struc.xyz' 2025-08-31T10:10:15,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5/struc.xyz' 2025-08-31T10:10:15,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6/struc.xyz' 2025-08-31T10:10:15,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7/struc.xyz' 2025-08-31T10:10:15,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8/struc.xyz' 2025-08-31T10:10:15,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9/struc.xyz' 2025-08-31T10:10:15,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01/struc.xyz' 2025-08-31T10:10:15,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a/struc.xyz' 2025-08-31T10:10:15,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02/struc.xyz' 2025-08-31T10:10:15,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a/struc.xyz' 2025-08-31T10:10:15,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b/struc.xyz' 2025-08-31T10:10:15,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03/struc.xyz' 2025-08-31T10:10:15,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a/struc.xyz' 2025-08-31T10:10:15,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04/struc.xyz' 2025-08-31T10:10:15,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a/struc.xyz' 2025-08-31T10:10:15,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05/struc.xyz' 2025-08-31T10:10:15,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a/struc.xyz' 2025-08-31T10:10:15,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06/struc.xyz' 2025-08-31T10:10:15,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a/struc.xyz' 2025-08-31T10:10:15,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b/struc.xyz' 2025-08-31T10:10:15,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07/struc.xyz' 2025-08-31T10:10:15,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a/struc.xyz' 2025-08-31T10:10:15,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b/struc.xyz' 2025-08-31T10:10:15,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08/struc.xyz' 2025-08-31T10:10:15,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a/struc.xyz' 2025-08-31T10:10:15,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09/struc.xyz' 2025-08-31T10:10:15,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a/struc.xyz' 2025-08-31T10:10:15,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10/struc.xyz' 2025-08-31T10:10:15,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a/struc.xyz' 2025-08-31T10:10:15,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b/struc.xyz' 2025-08-31T10:10:15,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11/struc.xyz' 2025-08-31T10:10:15,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a/struc.xyz' 2025-08-31T10:10:15,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12/struc.xyz' 2025-08-31T10:10:15,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a/struc.xyz' 2025-08-31T10:10:15,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13/struc.xyz' 2025-08-31T10:10:15,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a/struc.xyz' 2025-08-31T10:10:15,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14/struc.xyz' 2025-08-31T10:10:15,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a/struc.xyz' 2025-08-31T10:10:15,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b/struc.xyz' 2025-08-31T10:10:15,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15/struc.xyz' 2025-08-31T10:10:15,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a/struc.xyz' 2025-08-31T10:10:15,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b/struc.xyz' 2025-08-31T10:10:15,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16/struc.xyz' 2025-08-31T10:10:15,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a/struc.xyz' 2025-08-31T10:10:15,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b/struc.xyz' 2025-08-31T10:10:15,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17/struc.xyz' 2025-08-31T10:10:15,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a/struc.xyz' 2025-08-31T10:10:15,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b/struc.xyz' 2025-08-31T10:10:15,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18/struc.xyz' 2025-08-31T10:10:15,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a/struc.xyz' 2025-08-31T10:10:15,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b/struc.xyz' 2025-08-31T10:10:15,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19/struc.xyz' 2025-08-31T10:10:15,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a/struc.xyz' 2025-08-31T10:10:15,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b/struc.xyz' 2025-08-31T10:10:15,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20/struc.xyz' 2025-08-31T10:10:15,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a/struc.xyz' 2025-08-31T10:10:15,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b/struc.xyz' 2025-08-31T10:10:15,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21/struc.xyz' 2025-08-31T10:10:15,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a/struc.xyz' 2025-08-31T10:10:15,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b/struc.xyz' 2025-08-31T10:10:15,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22/struc.xyz' 2025-08-31T10:10:15,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a/struc.xyz' 2025-08-31T10:10:15,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b/struc.xyz' 2025-08-31T10:10:15,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01/struc.xyz' 2025-08-31T10:10:15,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A/struc.xyz' 2025-08-31T10:10:15,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B/struc.xyz' 2025-08-31T10:10:15,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02/struc.xyz' 2025-08-31T10:10:15,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A/struc.xyz' 2025-08-31T10:10:15,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B/struc.xyz' 2025-08-31T10:10:15,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03/struc.xyz' 2025-08-31T10:10:15,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A/struc.xyz' 2025-08-31T10:10:15,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B/struc.xyz' 2025-08-31T10:10:15,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04/struc.xyz' 2025-08-31T10:10:15,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A/struc.xyz' 2025-08-31T10:10:15,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B/struc.xyz' 2025-08-31T10:10:15,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05/struc.xyz' 2025-08-31T10:10:15,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A/struc.xyz' 2025-08-31T10:10:15,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B/struc.xyz' 2025-08-31T10:10:15,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06/struc.xyz' 2025-08-31T10:10:15,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A/struc.xyz' 2025-08-31T10:10:15,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B/struc.xyz' 2025-08-31T10:10:15,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07/struc.xyz' 2025-08-31T10:10:15,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A/struc.xyz' 2025-08-31T10:10:15,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B/struc.xyz' 2025-08-31T10:10:15,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08/struc.xyz' 2025-08-31T10:10:15,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A/struc.xyz' 2025-08-31T10:10:15,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B/struc.xyz' 2025-08-31T10:10:15,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09/struc.xyz' 2025-08-31T10:10:15,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A/struc.xyz' 2025-08-31T10:10:15,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B/struc.xyz' 2025-08-31T10:10:15,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10/struc.xyz' 2025-08-31T10:10:15,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A/struc.xyz' 2025-08-31T10:10:15,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B/struc.xyz' 2025-08-31T10:10:15,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11/struc.xyz' 2025-08-31T10:10:15,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A/struc.xyz' 2025-08-31T10:10:15,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B/struc.xyz' 2025-08-31T10:10:15,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12/struc.xyz' 2025-08-31T10:10:15,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A/struc.xyz' 2025-08-31T10:10:15,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B/struc.xyz' 2025-08-31T10:10:15,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13/struc.xyz' 2025-08-31T10:10:15,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A/struc.xyz' 2025-08-31T10:10:15,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B/struc.xyz' 2025-08-31T10:10:15,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14/struc.xyz' 2025-08-31T10:10:15,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A/struc.xyz' 2025-08-31T10:10:15,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B/struc.xyz' 2025-08-31T10:10:15,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15/struc.xyz' 2025-08-31T10:10:15,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A/struc.xyz' 2025-08-31T10:10:15,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B/struc.xyz' 2025-08-31T10:10:15,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16/struc.xyz' 2025-08-31T10:10:15,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A/struc.xyz' 2025-08-31T10:10:15,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B/struc.xyz' 2025-08-31T10:10:15,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17/struc.xyz' 2025-08-31T10:10:15,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A/struc.xyz' 2025-08-31T10:10:15,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B/struc.xyz' 2025-08-31T10:10:15,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18/struc.xyz' 2025-08-31T10:10:15,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A/struc.xyz' 2025-08-31T10:10:15,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B/struc.xyz' 2025-08-31T10:10:15,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19/struc.xyz' 2025-08-31T10:10:15,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A/struc.xyz' 2025-08-31T10:10:15,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B/struc.xyz' 2025-08-31T10:10:15,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20/struc.xyz' 2025-08-31T10:10:15,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A/struc.xyz' 2025-08-31T10:10:15,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B/struc.xyz' 2025-08-31T10:10:15,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21/struc.xyz' 2025-08-31T10:10:15,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A/struc.xyz' 2025-08-31T10:10:15,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B/struc.xyz' 2025-08-31T10:10:15,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22/struc.xyz' 2025-08-31T10:10:15,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A/struc.xyz' 2025-08-31T10:10:15,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B/struc.xyz' 2025-08-31T10:10:15,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23/struc.xyz' 2025-08-31T10:10:15,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A/struc.xyz' 2025-08-31T10:10:15,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B/struc.xyz' 2025-08-31T10:10:15,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24/struc.xyz' 2025-08-31T10:10:15,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A/struc.xyz' 2025-08-31T10:10:15,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B/struc.xyz' 2025-08-31T10:10:15,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25/struc.xyz' 2025-08-31T10:10:15,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A/struc.xyz' 2025-08-31T10:10:15,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B/struc.xyz' 2025-08-31T10:10:15,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26/struc.xyz' 2025-08-31T10:10:15,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A/struc.xyz' 2025-08-31T10:10:15,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B/struc.xyz' 2025-08-31T10:10:15,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27/struc.xyz' 2025-08-31T10:10:15,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A/struc.xyz' 2025-08-31T10:10:15,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B/struc.xyz' 2025-08-31T10:10:15,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28/struc.xyz' 2025-08-31T10:10:15,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A/struc.xyz' 2025-08-31T10:10:15,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B/struc.xyz' 2025-08-31T10:10:15,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29/struc.xyz' 2025-08-31T10:10:15,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A/struc.xyz' 2025-08-31T10:10:15,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B/struc.xyz' 2025-08-31T10:10:15,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30/struc.xyz' 2025-08-31T10:10:15,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A/struc.xyz' 2025-08-31T10:10:15,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B/struc.xyz' 2025-08-31T10:10:15,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31/struc.xyz' 2025-08-31T10:10:15,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A/struc.xyz' 2025-08-31T10:10:15,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B/struc.xyz' 2025-08-31T10:10:15,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32/struc.xyz' 2025-08-31T10:10:15,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A/struc.xyz' 2025-08-31T10:10:15,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B/struc.xyz' 2025-08-31T10:10:15,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33/struc.xyz' 2025-08-31T10:10:15,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A/struc.xyz' 2025-08-31T10:10:15,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B/struc.xyz' 2025-08-31T10:10:15,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34/struc.xyz' 2025-08-31T10:10:15,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A/struc.xyz' 2025-08-31T10:10:15,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B/struc.xyz' 2025-08-31T10:10:15,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35/struc.xyz' 2025-08-31T10:10:15,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A/struc.xyz' 2025-08-31T10:10:15,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B/struc.xyz' 2025-08-31T10:10:15,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36/struc.xyz' 2025-08-31T10:10:15,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A/struc.xyz' 2025-08-31T10:10:15,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B/struc.xyz' 2025-08-31T10:10:15,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37/struc.xyz' 2025-08-31T10:10:15,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A/struc.xyz' 2025-08-31T10:10:15,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B/struc.xyz' 2025-08-31T10:10:15,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38/struc.xyz' 2025-08-31T10:10:15,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A/struc.xyz' 2025-08-31T10:10:15,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B/struc.xyz' 2025-08-31T10:10:15,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39/struc.xyz' 2025-08-31T10:10:15,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A/struc.xyz' 2025-08-31T10:10:15,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B/struc.xyz' 2025-08-31T10:10:15,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40/struc.xyz' 2025-08-31T10:10:15,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A/struc.xyz' 2025-08-31T10:10:15,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B/struc.xyz' 2025-08-31T10:10:15,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41/struc.xyz' 2025-08-31T10:10:15,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A/struc.xyz' 2025-08-31T10:10:15,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B/struc.xyz' 2025-08-31T10:10:15,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42/struc.xyz' 2025-08-31T10:10:15,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A/struc.xyz' 2025-08-31T10:10:15,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B/struc.xyz' 2025-08-31T10:10:15,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43/struc.xyz' 2025-08-31T10:10:15,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A/struc.xyz' 2025-08-31T10:10:15,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B/struc.xyz' 2025-08-31T10:10:15,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44/struc.xyz' 2025-08-31T10:10:15,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A/struc.xyz' 2025-08-31T10:10:15,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B/struc.xyz' 2025-08-31T10:10:15,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45/struc.xyz' 2025-08-31T10:10:15,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A/struc.xyz' 2025-08-31T10:10:15,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B/struc.xyz' 2025-08-31T10:10:15,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46/struc.xyz' 2025-08-31T10:10:15,479 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A/struc.xyz' 2025-08-31T10:10:15,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B/struc.xyz' 2025-08-31T10:10:15,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47/struc.xyz' 2025-08-31T10:10:15,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A/struc.xyz' 2025-08-31T10:10:15,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B/struc.xyz' 2025-08-31T10:10:15,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48/struc.xyz' 2025-08-31T10:10:15,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A/struc.xyz' 2025-08-31T10:10:15,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B/struc.xyz' 2025-08-31T10:10:15,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49/struc.xyz' 2025-08-31T10:10:15,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A/struc.xyz' 2025-08-31T10:10:15,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B/struc.xyz' 2025-08-31T10:10:15,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50/struc.xyz' 2025-08-31T10:10:15,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A/struc.xyz' 2025-08-31T10:10:15,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B/struc.xyz' 2025-08-31T10:10:15,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51/struc.xyz' 2025-08-31T10:10:15,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A/struc.xyz' 2025-08-31T10:10:15,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B/struc.xyz' 2025-08-31T10:10:15,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52/struc.xyz' 2025-08-31T10:10:15,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A/struc.xyz' 2025-08-31T10:10:15,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B/struc.xyz' 2025-08-31T10:10:15,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53/struc.xyz' 2025-08-31T10:10:15,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A/struc.xyz' 2025-08-31T10:10:15,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B/struc.xyz' 2025-08-31T10:10:15,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54/struc.xyz' 2025-08-31T10:10:15,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A/struc.xyz' 2025-08-31T10:10:15,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B/struc.xyz' 2025-08-31T10:10:15,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55/struc.xyz' 2025-08-31T10:10:15,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A/struc.xyz' 2025-08-31T10:10:15,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B/struc.xyz' 2025-08-31T10:10:15,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56/struc.xyz' 2025-08-31T10:10:15,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A/struc.xyz' 2025-08-31T10:10:15,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B/struc.xyz' 2025-08-31T10:10:15,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57/struc.xyz' 2025-08-31T10:10:15,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A/struc.xyz' 2025-08-31T10:10:15,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B/struc.xyz' 2025-08-31T10:10:15,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58/struc.xyz' 2025-08-31T10:10:15,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A/struc.xyz' 2025-08-31T10:10:15,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B/struc.xyz' 2025-08-31T10:10:15,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59/struc.xyz' 2025-08-31T10:10:15,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A/struc.xyz' 2025-08-31T10:10:15,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B/struc.xyz' 2025-08-31T10:10:15,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60/struc.xyz' 2025-08-31T10:10:15,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A/struc.xyz' 2025-08-31T10:10:15,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B/struc.xyz' 2025-08-31T10:10:15,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61/struc.xyz' 2025-08-31T10:10:15,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A/struc.xyz' 2025-08-31T10:10:15,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B/struc.xyz' 2025-08-31T10:10:15,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62/struc.xyz' 2025-08-31T10:10:15,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A/struc.xyz' 2025-08-31T10:10:15,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B/struc.xyz' 2025-08-31T10:10:15,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63/struc.xyz' 2025-08-31T10:10:15,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A/struc.xyz' 2025-08-31T10:10:15,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B/struc.xyz' 2025-08-31T10:10:15,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64/struc.xyz' 2025-08-31T10:10:15,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A/struc.xyz' 2025-08-31T10:10:15,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B/struc.xyz' 2025-08-31T10:10:15,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65/struc.xyz' 2025-08-31T10:10:15,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A/struc.xyz' 2025-08-31T10:10:15,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B/struc.xyz' 2025-08-31T10:10:15,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66/struc.xyz' 2025-08-31T10:10:15,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A/struc.xyz' 2025-08-31T10:10:15,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B/struc.xyz' 2025-08-31T10:10:15,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1/struc.xyz' 2025-08-31T10:10:15,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10/struc.xyz' 2025-08-31T10:10:15,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11/struc.xyz' 2025-08-31T10:10:15,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12/struc.xyz' 2025-08-31T10:10:15,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13/struc.xyz' 2025-08-31T10:10:15,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14/struc.xyz' 2025-08-31T10:10:15,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15/struc.xyz' 2025-08-31T10:10:15,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2/struc.xyz' 2025-08-31T10:10:15,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3/struc.xyz' 2025-08-31T10:10:15,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4/struc.xyz' 2025-08-31T10:10:15,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5/struc.xyz' 2025-08-31T10:10:15,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6/struc.xyz' 2025-08-31T10:10:15,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7/struc.xyz' 2025-08-31T10:10:15,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8/struc.xyz' 2025-08-31T10:10:15,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9/struc.xyz' 2025-08-31T10:10:15,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1/struc.xyz' 2025-08-31T10:10:15,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2/struc.xyz' 2025-08-31T10:10:15,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3/struc.xyz' 2025-08-31T10:10:15,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4/struc.xyz' 2025-08-31T10:10:15,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h/struc.xyz' 2025-08-31T10:10:15,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz' 2025-08-31T10:10:15,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz' 2025-08-31T10:10:15,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz' 2025-08-31T10:10:15,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz' 2025-08-31T10:10:15,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o/struc.xyz' 2025-08-31T10:10:15,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+/struc.xyz' 2025-08-31T10:10:15,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz' 2025-08-31T10:10:15,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz' 2025-08-31T10:10:15,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz' 2025-08-31T10:10:15,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz' 2025-08-31T10:10:15,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he/struc.xyz' 2025-08-31T10:10:15,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+/struc.xyz' 2025-08-31T10:10:15,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz' 2025-08-31T10:10:15,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz' 2025-08-31T10:10:15,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz' 2025-08-31T10:10:15,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz' 2025-08-31T10:10:15,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3/struc.xyz' 2025-08-31T10:10:15,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+/struc.xyz' 2025-08-31T10:10:15,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz' 2025-08-31T10:10:15,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz' 2025-08-31T10:10:15,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz' 2025-08-31T10:10:15,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz' 2025-08-31T10:10:15,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1/struc.xyz' 2025-08-31T10:10:15,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13/struc.xyz' 2025-08-31T10:10:15,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A/struc.xyz' 2025-08-31T10:10:15,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B/struc.xyz' 2025-08-31T10:10:15,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18/struc.xyz' 2025-08-31T10:10:15,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A/struc.xyz' 2025-08-31T10:10:15,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B/struc.xyz' 2025-08-31T10:10:15,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2/struc.xyz' 2025-08-31T10:10:15,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20/struc.xyz' 2025-08-31T10:10:15,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24/struc.xyz' 2025-08-31T10:10:15,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A/struc.xyz' 2025-08-31T10:10:15,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25/struc.xyz' 2025-08-31T10:10:15,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A/struc.xyz' 2025-08-31T10:10:15,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B/struc.xyz' 2025-08-31T10:10:15,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34/struc.xyz' 2025-08-31T10:10:15,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39/struc.xyz' 2025-08-31T10:10:15,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4/struc.xyz' 2025-08-31T10:10:15,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40/struc.xyz' 2025-08-31T10:10:15,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43/struc.xyz' 2025-08-31T10:10:15,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45/struc.xyz' 2025-08-31T10:10:15,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47/struc.xyz' 2025-08-31T10:10:15,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48/struc.xyz' 2025-08-31T10:10:15,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A/struc.xyz' 2025-08-31T10:10:15,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B/struc.xyz' 2025-08-31T10:10:15,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5/struc.xyz' 2025-08-31T10:10:15,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58/struc.xyz' 2025-08-31T10:10:15,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59/struc.xyz' 2025-08-31T10:10:15,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A/struc.xyz' 2025-08-31T10:10:15,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B/struc.xyz' 2025-08-31T10:10:15,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6/struc.xyz' 2025-08-31T10:10:15,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68/struc.xyz' 2025-08-31T10:10:15,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A/struc.xyz' 2025-08-31T10:10:15,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B/struc.xyz' 2025-08-31T10:10:15,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73/struc.xyz' 2025-08-31T10:10:15,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8/struc.xyz' 2025-08-31T10:10:15,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A/struc.xyz' 2025-08-31T10:10:15,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B/struc.xyz' 2025-08-31T10:10:15,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a/struc.xyz' 2025-08-31T10:10:15,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b/struc.xyz' 2025-08-31T10:10:15,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr/struc.xyz' 2025-08-31T10:10:15,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz' 2025-08-31T10:10:15,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4/struc.xyz' 2025-08-31T10:10:15,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20/struc.xyz' 2025-08-31T10:10:15,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12/struc.xyz' 2025-08-31T10:10:15,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n/struc.xyz' 2025-08-31T10:10:15,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14/struc.xyz' 2025-08-31T10:10:15,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n/struc.xyz' 2025-08-31T10:10:15,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20/struc.xyz' 2025-08-31T10:10:15,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n/struc.xyz' 2025-08-31T10:10:15,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21/struc.xyz' 2025-08-31T10:10:15,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n/struc.xyz' 2025-08-31T10:10:15,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25/struc.xyz' 2025-08-31T10:10:15,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n/struc.xyz' 2025-08-31T10:10:15,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s/struc.xyz' 2025-08-31T10:10:15,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-/struc.xyz' 2025-08-31T10:10:15,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O/struc.xyz' 2025-08-31T10:10:15,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS/struc.xyz' 2025-08-31T10:10:15,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S/struc.xyz' 2025-08-31T10:10:15,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS/struc.xyz' 2025-08-31T10:10:15,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64/struc.xyz' 2025-08-31T10:10:15,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67/struc.xyz' 2025-08-31T10:10:15,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71/struc.xyz' 2025-08-31T10:10:15,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74/struc.xyz' 2025-08-31T10:10:15,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76/struc.xyz' 2025-08-31T10:10:15,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78/struc.xyz' 2025-08-31T10:10:15,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80/struc.xyz' 2025-08-31T10:10:15,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH/struc.xyz' 2025-08-31T10:10:15,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr/struc.xyz' 2025-08-31T10:10:15,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl/struc.xyz' 2025-08-31T10:10:15,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2/struc.xyz' 2025-08-31T10:10:15,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm/struc.xyz' 2025-08-31T10:10:15,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O/struc.xyz' 2025-08-31T10:10:15,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1/struc.xyz' 2025-08-31T10:10:15,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20/struc.xyz' 2025-08-31T10:10:15,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH/struc.xyz' 2025-08-31T10:10:15,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl/struc.xyz' 2025-08-31T10:10:15,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02/struc.xyz' 2025-08-31T10:10:15,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10/struc.xyz' 2025-08-31T10:10:15,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17/struc.xyz' 2025-08-31T10:10:15,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al/struc.xyz' 2025-08-31T10:10:15,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl/struc.xyz' 2025-08-31T10:10:15,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3/struc.xyz' 2025-08-31T10:10:15,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar/struc.xyz' 2025-08-31T10:10:15,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2/struc.xyz' 2025-08-31T10:10:15,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3/struc.xyz' 2025-08-31T10:10:15,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4/struc.xyz' 2025-08-31T10:10:15,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b/struc.xyz' 2025-08-31T10:10:15,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2/struc.xyz' 2025-08-31T10:10:15,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be/struc.xyz' 2025-08-31T10:10:15,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+/struc.xyz' 2025-08-31T10:10:15,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+/struc.xyz' 2025-08-31T10:10:15,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c/struc.xyz' 2025-08-31T10:10:15,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2/struc.xyz' 2025-08-31T10:10:15,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar/struc.xyz' 2025-08-31T10:10:15,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne/struc.xyz' 2025-08-31T10:10:15,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p/struc.xyz' 2025-08-31T10:10:15,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca/struc.xyz' 2025-08-31T10:10:15,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao/struc.xyz' 2025-08-31T10:10:15,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2/struc.xyz' 2025-08-31T10:10:15,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2/struc.xyz' 2025-08-31T10:10:15,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s/struc.xyz' 2025-08-31T10:10:15,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp/struc.xyz' 2025-08-31T10:10:15,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3/struc.xyz' 2025-08-31T10:10:15,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f/struc.xyz' 2025-08-31T10:10:15,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl/struc.xyz' 2025-08-31T10:10:15,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2/struc.xyz' 2025-08-31T10:10:15,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf/struc.xyz' 2025-08-31T10:10:15,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f/struc.xyz' 2025-08-31T10:10:15,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+/struc.xyz' 2025-08-31T10:10:15,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic/struc.xyz' 2025-08-31T10:10:15,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h/struc.xyz' 2025-08-31T10:10:15,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2/struc.xyz' 2025-08-31T10:10:15,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25/struc.xyz' 2025-08-31T10:10:15,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5/struc.xyz' 2025-08-31T10:10:15,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75/struc.xyz' 2025-08-31T10:10:15,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2/struc.xyz' 2025-08-31T10:10:15,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis/struc.xyz' 2025-08-31T10:10:15,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans/struc.xyz' 2025-08-31T10:10:15,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p/struc.xyz' 2025-08-31T10:10:15,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s/struc.xyz' 2025-08-31T10:10:15,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2/struc.xyz' 2025-08-31T10:10:15,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis/struc.xyz' 2025-08-31T10:10:15,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+/struc.xyz' 2025-08-31T10:10:15,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2/struc.xyz' 2025-08-31T10:10:15,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl/struc.xyz' 2025-08-31T10:10:15,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp/struc.xyz' 2025-08-31T10:10:15,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn/struc.xyz' 2025-08-31T10:10:15,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts/struc.xyz' 2025-08-31T10:10:15,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco/struc.xyz' 2025-08-31T10:10:15,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots/struc.xyz' 2025-08-31T10:10:15,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he/struc.xyz' 2025-08-31T10:10:15,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+/struc.xyz' 2025-08-31T10:10:15,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf/struc.xyz' 2025-08-31T10:10:15,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr/struc.xyz' 2025-08-31T10:10:15,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe/struc.xyz' 2025-08-31T10:10:15,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts/struc.xyz' 2025-08-31T10:10:15,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2/struc.xyz' 2025-08-31T10:10:15,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts/struc.xyz' 2025-08-31T10:10:15,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc/struc.xyz' 2025-08-31T10:10:15,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn/struc.xyz' 2025-08-31T10:10:15,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo/struc.xyz' 2025-08-31T10:10:15,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k/struc.xyz' 2025-08-31T10:10:15,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf/struc.xyz' 2025-08-31T10:10:15,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr/struc.xyz' 2025-08-31T10:10:15,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2/struc.xyz' 2025-08-31T10:10:15,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3/struc.xyz' 2025-08-31T10:10:15,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg/struc.xyz' 2025-08-31T10:10:15,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+/struc.xyz' 2025-08-31T10:10:15,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs/struc.xyz' 2025-08-31T10:10:15,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne/struc.xyz' 2025-08-31T10:10:15,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3/struc.xyz' 2025-08-31T10:10:15,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4/struc.xyz' 2025-08-31T10:10:15,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz' 2025-08-31T10:10:15,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz' 2025-08-31T10:10:15,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3/struc.xyz' 2025-08-31T10:10:15,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p/struc.xyz' 2025-08-31T10:10:15,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o/struc.xyz' 2025-08-31T10:10:15,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo/struc.xyz' 2025-08-31T10:10:15,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh/struc.xyz' 2025-08-31T10:10:15,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1/struc.xyz' 2025-08-31T10:10:15,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s/struc.xyz' 2025-08-31T10:10:16,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh/struc.xyz' 2025-08-31T10:10:16,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh/struc.xyz' 2025-08-31T10:10:16,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si/struc.xyz' 2025-08-31T10:10:16,007 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+/struc.xyz' 2025-08-31T10:10:16,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4/struc.xyz' 2025-08-31T10:10:16,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2/struc.xyz' 2025-08-31T10:10:16,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl/struc.xyz' 2025-08-31T10:10:16,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi/struc.xyz' 2025-08-31T10:10:16,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1/struc.xyz' 2025-08-31T10:10:16,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a/struc.xyz' 2025-08-31T10:10:16,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b/struc.xyz' 2025-08-31T10:10:16,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a/struc.xyz' 2025-08-31T10:10:16,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b/struc.xyz' 2025-08-31T10:10:16,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a/struc.xyz' 2025-08-31T10:10:16,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b/struc.xyz' 2025-08-31T10:10:16,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a/struc.xyz' 2025-08-31T10:10:16,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b/struc.xyz' 2025-08-31T10:10:16,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c/struc.xyz' 2025-08-31T10:10:16,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d/struc.xyz' 2025-08-31T10:10:16,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a/struc.xyz' 2025-08-31T10:10:16,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b/struc.xyz' 2025-08-31T10:10:16,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a/struc.xyz' 2025-08-31T10:10:16,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b/struc.xyz' 2025-08-31T10:10:16,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c/struc.xyz' 2025-08-31T10:10:16,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a/struc.xyz' 2025-08-31T10:10:16,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b/struc.xyz' 2025-08-31T10:10:16,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c/struc.xyz' 2025-08-31T10:10:16,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d/struc.xyz' 2025-08-31T10:10:16,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a/struc.xyz' 2025-08-31T10:10:16,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b/struc.xyz' 2025-08-31T10:10:16,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a/struc.xyz' 2025-08-31T10:10:16,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b/struc.xyz' 2025-08-31T10:10:16,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a/struc.xyz' 2025-08-31T10:10:16,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b/struc.xyz' 2025-08-31T10:10:16,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a/struc.xyz' 2025-08-31T10:10:16,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b/struc.xyz' 2025-08-31T10:10:16,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a/struc.xyz' 2025-08-31T10:10:16,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b/struc.xyz' 2025-08-31T10:10:16,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c/struc.xyz' 2025-08-31T10:10:16,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e/struc.xyz' 2025-08-31T10:10:16,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f/struc.xyz' 2025-08-31T10:10:16,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g/struc.xyz' 2025-08-31T10:10:16,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m/struc.xyz' 2025-08-31T10:10:16,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p/struc.xyz' 2025-08-31T10:10:16,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a/struc.xyz' 2025-08-31T10:10:16,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h/struc.xyz' 2025-08-31T10:10:16,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p/struc.xyz' 2025-08-31T10:10:16,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a/struc.xyz' 2025-08-31T10:10:16,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b/struc.xyz' 2025-08-31T10:10:16,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d/struc.xyz' 2025-08-31T10:10:16,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b/struc.xyz' 2025-08-31T10:10:16,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z/struc.xyz' 2025-08-31T10:10:16,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p/struc.xyz' 2025-08-31T10:10:16,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a/struc.xyz' 2025-08-31T10:10:16,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p/struc.xyz' 2025-08-31T10:10:16,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d/struc.xyz' 2025-08-31T10:10:16,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a/struc.xyz' 2025-08-31T10:10:16,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa/struc.xyz' 2025-08-31T10:10:16,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde/struc.xyz' 2025-08-31T10:10:16,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic/struc.xyz' 2025-08-31T10:10:16,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al/struc.xyz' 2025-08-31T10:10:16,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl/struc.xyz' 2025-08-31T10:10:16,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3/struc.xyz' 2025-08-31T10:10:16,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf/struc.xyz' 2025-08-31T10:10:16,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3/struc.xyz' 2025-08-31T10:10:16,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh/struc.xyz' 2025-08-31T10:10:16,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3/struc.xyz' 2025-08-31T10:10:16,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene/struc.xyz' 2025-08-31T10:10:16,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b/struc.xyz' 2025-08-31T10:10:16,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2/struc.xyz' 2025-08-31T10:10:16,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6/struc.xyz' 2025-08-31T10:10:16,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be/struc.xyz' 2025-08-31T10:10:16,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2/struc.xyz' 2025-08-31T10:10:16,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2/struc.xyz' 2025-08-31T10:10:16,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2/struc.xyz' 2025-08-31T10:10:16,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf/struc.xyz' 2025-08-31T10:10:16,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3/struc.xyz' 2025-08-31T10:10:16,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh/struc.xyz' 2025-08-31T10:10:16,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3/struc.xyz' 2025-08-31T10:10:16,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2/struc.xyz' 2025-08-31T10:10:16,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn/struc.xyz' 2025-08-31T10:10:16,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi/struc.xyz' 2025-08-31T10:10:16,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c/struc.xyz' 2025-08-31T10:10:16,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh/struc.xyz' 2025-08-31T10:10:16,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono/struc.xyz' 2025-08-31T10:10:16,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo/struc.xyz' 2025-08-31T10:10:16,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2/struc.xyz' 2025-08-31T10:10:16,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2/struc.xyz' 2025-08-31T10:10:16,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2/struc.xyz' 2025-08-31T10:10:16,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f/struc.xyz' 2025-08-31T10:10:16,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4/struc.xyz' 2025-08-31T10:10:16,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f/struc.xyz' 2025-08-31T10:10:16,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6/struc.xyz' 2025-08-31T10:10:16,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch/struc.xyz' 2025-08-31T10:10:16,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2/struc.xyz' 2025-08-31T10:10:16,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf/struc.xyz' 2025-08-31T10:10:16,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2/struc.xyz' 2025-08-31T10:10:16,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4/struc.xyz' 2025-08-31T10:10:16,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch/struc.xyz' 2025-08-31T10:10:16,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing/struc.xyz' 2025-08-31T10:10:16,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip/struc.xyz' 2025-08-31T10:10:16,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c/struc.xyz' 2025-08-31T10:10:16,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch/struc.xyz' 2025-08-31T10:10:16,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2/struc.xyz' 2025-08-31T10:10:16,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh/struc.xyz' 2025-08-31T10:10:16,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2/struc.xyz' 2025-08-31T10:10:16,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3/struc.xyz' 2025-08-31T10:10:16,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f/struc.xyz' 2025-08-31T10:10:16,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh/struc.xyz' 2025-08-31T10:10:16,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2/struc.xyz' 2025-08-31T10:10:16,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4/struc.xyz' 2025-08-31T10:10:16,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl/struc.xyz' 2025-08-31T10:10:16,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2/struc.xyz' 2025-08-31T10:10:16,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o/struc.xyz' 2025-08-31T10:10:16,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn/struc.xyz' 2025-08-31T10:10:16,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf/struc.xyz' 2025-08-31T10:10:16,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo/struc.xyz' 2025-08-31T10:10:16,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo/struc.xyz' 2025-08-31T10:10:16,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn/struc.xyz' 2025-08-31T10:10:16,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co/struc.xyz' 2025-08-31T10:10:16,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2/struc.xyz' 2025-08-31T10:10:16,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs/struc.xyz' 2025-08-31T10:10:16,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2/struc.xyz' 2025-08-31T10:10:16,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane/struc.xyz' 2025-08-31T10:10:16,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol/struc.xyz' 2025-08-31T10:10:16,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f/struc.xyz' 2025-08-31T10:10:16,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2/struc.xyz' 2025-08-31T10:10:16,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co/struc.xyz' 2025-08-31T10:10:16,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o/struc.xyz' 2025-08-31T10:10:16,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf/struc.xyz' 2025-08-31T10:10:16,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2/struc.xyz' 2025-08-31T10:10:16,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof/struc.xyz' 2025-08-31T10:10:16,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic/struc.xyz' 2025-08-31T10:10:16,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal/struc.xyz' 2025-08-31T10:10:16,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h/struc.xyz' 2025-08-31T10:10:16,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2/struc.xyz' 2025-08-31T10:10:16,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn/struc.xyz' 2025-08-31T10:10:16,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co/struc.xyz' 2025-08-31T10:10:16,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o/struc.xyz' 2025-08-31T10:10:16,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s/struc.xyz' 2025-08-31T10:10:16,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf/struc.xyz' 2025-08-31T10:10:16,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl/struc.xyz' 2025-08-31T10:10:16,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn/struc.xyz' 2025-08-31T10:10:16,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh/struc.xyz' 2025-08-31T10:10:16,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno/struc.xyz' 2025-08-31T10:10:16,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco/struc.xyz' 2025-08-31T10:10:16,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof/struc.xyz' 2025-08-31T10:10:16,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf/struc.xyz' 2025-08-31T10:10:16,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc/struc.xyz' 2025-08-31T10:10:16,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco/struc.xyz' 2025-08-31T10:10:16,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn/struc.xyz' 2025-08-31T10:10:16,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno/struc.xyz' 2025-08-31T10:10:16,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl/struc.xyz' 2025-08-31T10:10:16,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn/struc.xyz' 2025-08-31T10:10:16,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof/struc.xyz' 2025-08-31T10:10:16,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc/struc.xyz' 2025-08-31T10:10:16,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo/struc.xyz' 2025-08-31T10:10:16,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh/struc.xyz' 2025-08-31T10:10:16,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs/struc.xyz' 2025-08-31T10:10:16,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene/struc.xyz' 2025-08-31T10:10:16,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol/struc.xyz' 2025-08-31T10:10:16,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n/struc.xyz' 2025-08-31T10:10:16,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2/struc.xyz' 2025-08-31T10:10:16,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h/struc.xyz' 2025-08-31T10:10:16,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4/struc.xyz' 2025-08-31T10:10:16,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o/struc.xyz' 2025-08-31T10:10:16,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn/struc.xyz' 2025-08-31T10:10:16,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh/struc.xyz' 2025-08-31T10:10:16,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2/struc.xyz' 2025-08-31T10:10:16,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl/struc.xyz' 2025-08-31T10:10:16,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3/struc.xyz' 2025-08-31T10:10:16,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no/struc.xyz' 2025-08-31T10:10:16,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2/struc.xyz' 2025-08-31T10:10:16,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o/struc.xyz' 2025-08-31T10:10:16,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2/struc.xyz' 2025-08-31T10:10:16,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3/struc.xyz' 2025-08-31T10:10:16,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo/struc.xyz' 2025-08-31T10:10:16,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs/struc.xyz' 2025-08-31T10:10:16,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of/struc.xyz' 2025-08-31T10:10:16,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh/struc.xyz' 2025-08-31T10:10:16,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane/struc.xyz' 2025-08-31T10:10:16,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene/struc.xyz' 2025-08-31T10:10:16,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p/struc.xyz' 2025-08-31T10:10:16,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2/struc.xyz' 2025-08-31T10:10:16,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4/struc.xyz' 2025-08-31T10:10:16,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3/struc.xyz' 2025-08-31T10:10:16,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane/struc.xyz' 2025-08-31T10:10:16,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene/struc.xyz' 2025-08-31T10:10:16,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne/struc.xyz' 2025-08-31T10:10:16,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s/struc.xyz' 2025-08-31T10:10:16,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2/struc.xyz' 2025-08-31T10:10:16,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o/struc.xyz' 2025-08-31T10:10:16,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3/struc.xyz' 2025-08-31T10:10:16,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v/struc.xyz' 2025-08-31T10:10:16,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si/struc.xyz' 2025-08-31T10:10:16,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6/struc.xyz' 2025-08-31T10:10:16,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif/struc.xyz' 2025-08-31T10:10:16,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4/struc.xyz' 2025-08-31T10:10:16,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih/struc.xyz' 2025-08-31T10:10:16,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f/struc.xyz' 2025-08-31T10:10:16,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4/struc.xyz' 2025-08-31T10:10:16,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio/struc.xyz' 2025-08-31T10:10:16,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so/struc.xyz' 2025-08-31T10:10:16,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2/struc.xyz' 2025-08-31T10:10:16,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3/struc.xyz' 2025-08-31T10:10:16,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh/struc.xyz' 2025-08-31T10:10:16,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh/struc.xyz' 2025-08-31T10:10:16,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono/struc.xyz' 2025-08-31T10:10:16,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo/struc.xyz' 2025-08-31T10:10:16,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2/struc.xyz' 2025-08-31T10:10:16,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O/struc.xyz' 2025-08-31T10:10:16,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2/struc.xyz' 2025-08-31T10:10:16,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20/struc.xyz' 2025-08-31T10:10:16,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es/struc.xyz' 2025-08-31T10:10:16,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc/struc.xyz' 2025-08-31T10:10:16,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs/struc.xyz' 2025-08-31T10:10:16,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3/struc.xyz' 2025-08-31T10:10:16,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4/struc.xyz' 2025-08-31T10:10:16,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5/struc.xyz' 2025-08-31T10:10:16,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6/struc.xyz' 2025-08-31T10:10:16,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b/struc.xyz' 2025-08-31T10:10:16,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c/struc.xyz' 2025-08-31T10:10:16,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2/struc.xyz' 2025-08-31T10:10:16,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d/struc.xyz' 2025-08-31T10:10:16,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4/struc.xyz' 2025-08-31T10:10:16,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op/struc.xyz' 2025-08-31T10:10:16,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O/struc.xyz' 2025-08-31T10:10:16,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2/struc.xyz' 2025-08-31T10:10:16,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3/struc.xyz' 2025-08-31T10:10:16,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz' 2025-08-31T10:10:16,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz' 2025-08-31T10:10:16,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz' 2025-08-31T10:10:16,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm/struc.xyz' 2025-08-31T10:10:16,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O/struc.xyz' 2025-08-31T10:10:16,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2/struc.xyz' 2025-08-31T10:10:16,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3/struc.xyz' 2025-08-31T10:10:16,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz' 2025-08-31T10:10:16,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz' 2025-08-31T10:10:16,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5/struc.xyz' 2025-08-31T10:10:16,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6/struc.xyz' 2025-08-31T10:10:16,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o/struc.xyz' 2025-08-31T10:10:16,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1/struc.xyz' 2025-08-31T10:10:16,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2/struc.xyz' 2025-08-31T10:10:16,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3/struc.xyz' 2025-08-31T10:10:16,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4/struc.xyz' 2025-08-31T10:10:16,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5/struc.xyz' 2025-08-31T10:10:16,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6/struc.xyz' 2025-08-31T10:10:16,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7/struc.xyz' 2025-08-31T10:10:16,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8/struc.xyz' 2025-08-31T10:10:16,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9/struc.xyz' 2025-08-31T10:10:16,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1/struc.xyz' 2025-08-31T10:10:16,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o/struc.xyz' 2025-08-31T10:10:16,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2/struc.xyz' 2025-08-31T10:10:16,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o/struc.xyz' 2025-08-31T10:10:16,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3/struc.xyz' 2025-08-31T10:10:16,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o/struc.xyz' 2025-08-31T10:10:16,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4/struc.xyz' 2025-08-31T10:10:16,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o/struc.xyz' 2025-08-31T10:10:16,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5/struc.xyz' 2025-08-31T10:10:16,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o/struc.xyz' 2025-08-31T10:10:16,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6/struc.xyz' 2025-08-31T10:10:16,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o/struc.xyz' 2025-08-31T10:10:16,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7/struc.xyz' 2025-08-31T10:10:16,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o/struc.xyz' 2025-08-31T10:10:16,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8/struc.xyz' 2025-08-31T10:10:16,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o/struc.xyz' 2025-08-31T10:10:16,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9/struc.xyz' 2025-08-31T10:10:16,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o/struc.xyz' 2025-08-31T10:10:16,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22/struc.xyz' 2025-08-31T10:10:16,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2/struc.xyz' 2025-08-31T10:10:16,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s/struc.xyz' 2025-08-31T10:10:16,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz' 2025-08-31T10:10:16,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2/struc.xyz' 2025-08-31T10:10:16,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s/struc.xyz' 2025-08-31T10:10:16,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz' 2025-08-31T10:10:16,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2/struc.xyz' 2025-08-31T10:10:16,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s/struc.xyz' 2025-08-31T10:10:16,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz' 2025-08-31T10:10:16,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2/struc.xyz' 2025-08-31T10:10:16,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3/struc.xyz' 2025-08-31T10:10:16,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz' 2025-08-31T10:10:16,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2/struc.xyz' 2025-08-31T10:10:16,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3/struc.xyz' 2025-08-31T10:10:16,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz' 2025-08-31T10:10:16,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2/struc.xyz' 2025-08-31T10:10:16,479 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3/struc.xyz' 2025-08-31T10:10:16,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz' 2025-08-31T10:10:16,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2/struc.xyz' 2025-08-31T10:10:16,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3/struc.xyz' 2025-08-31T10:10:16,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz' 2025-08-31T10:10:16,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2/struc.xyz' 2025-08-31T10:10:16,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3/struc.xyz' 2025-08-31T10:10:16,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz' 2025-08-31T10:10:16,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2/struc.xyz' 2025-08-31T10:10:16,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3/struc.xyz' 2025-08-31T10:10:16,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz' 2025-08-31T10:10:16,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2/struc.xyz' 2025-08-31T10:10:16,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ACONF.txt' 2025-08-31T10:10:16,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt' 2025-08-31T10:10:16,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt' 2025-08-31T10:10:16,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_Amino20x4.txt' 2025-08-31T10:10:16,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt' 2025-08-31T10:10:16,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt' 2025-08-31T10:10:16,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt' 2025-08-31T10:10:16,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt' 2025-08-31T10:10:16,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BSR36.txt' 2025-08-31T10:10:16,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt' 2025-08-31T10:10:16,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CDIE20.txt' 2025-08-31T10:10:16,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt' 2025-08-31T10:10:16,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt' 2025-08-31T10:10:16,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt' 2025-08-31T10:10:16,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt' 2025-08-31T10:10:16,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt' 2025-08-31T10:10:16,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt' 2025-08-31T10:10:16,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt' 2025-08-31T10:10:16,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt' 2025-08-31T10:10:16,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt' 2025-08-31T10:10:16,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt' 2025-08-31T10:10:16,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt' 2025-08-31T10:10:16,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt' 2025-08-31T10:10:16,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt' 2025-08-31T10:10:16,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PArel.txt' 2025-08-31T10:10:16,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt' 2025-08-31T10:10:16,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt' 2025-08-31T10:10:16,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt' 2025-08-31T10:10:16,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S22.txt' 2025-08-31T10:10:16,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt' 2025-08-31T10:10:16,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt' 2025-08-31T10:10:16,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt' 2025-08-31T10:10:16,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt' 2025-08-31T10:10:16,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt' 2025-08-31T10:10:16,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt' 2025-08-31T10:10:16,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt' 2025-08-31T10:10:16,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt' 2025-08-31T10:10:16,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt' 2025-08-31T10:10:16,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt' 2025-08-31T10:10:16,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt' 2025-08-31T10:10:16,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76.txt' 2025-08-31T10:10:16,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt' 2025-08-31T10:10:16,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt' 2025-08-31T10:10:16,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt' 2025-08-31T10:10:16,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt' 2025-08-31T10:10:16,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt' 2025-08-31T10:10:16,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt' 2025-08-31T10:10:16,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt' 2025-08-31T10:10:16,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_FH51.txt' 2025-08-31T10:10:16,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt' 2025-08-31T10:10:16,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt' 2025-08-31T10:10:16,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt' 2025-08-31T10:10:16,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt' 2025-08-31T10:10:16,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt' 2025-08-31T10:10:16,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt' 2025-08-31T10:10:16,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_IL16.txt' 2025-08-31T10:10:16,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_INV24.txt' 2025-08-31T10:10:16,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt' 2025-08-31T10:10:16,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt' 2025-08-31T10:10:16,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PA26.txt' 2025-08-31T10:10:16,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PArel.txt' 2025-08-31T10:10:16,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt' 2025-08-31T10:10:16,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PX13.txt' 2025-08-31T10:10:16,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt' 2025-08-31T10:10:16,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S22.txt' 2025-08-31T10:10:16,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S66.txt' 2025-08-31T10:10:16,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt' 2025-08-31T10:10:16,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt' 2025-08-31T10:10:16,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt' 2025-08-31T10:10:16,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt' 2025-08-31T10:10:16,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt' 2025-08-31T10:10:16,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt' 2025-08-31T10:10:16,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G/struc.xyz' 2025-08-31T10:10:16,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T/struc.xyz' 2025-08-31T10:10:16,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g-/struc.xyz' 2025-08-31T10:10:16,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g-/struc.xyz' 2025-08-31T10:10:16,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+/struc.xyz' 2025-08-31T10:10:16,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg/struc.xyz' 2025-08-31T10:10:16,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg/struc.xyz' 2025-08-31T10:10:16,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt/struc.xyz' 2025-08-31T10:10:16,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x-/struc.xyz' 2025-08-31T10:10:16,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg/struc.xyz' 2025-08-31T10:10:16,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt/struc.xyz' 2025-08-31T10:10:16,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt/struc.xyz' 2025-08-31T10:10:16,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g-/struc.xyz' 2025-08-31T10:10:16,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+/struc.xyz' 2025-08-31T10:10:16,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG/struc.xyz' 2025-08-31T10:10:16,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX/struc.xyz' 2025-08-31T10:10:16,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG/struc.xyz' 2025-08-31T10:10:16,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT/struc.xyz' 2025-08-31T10:10:16,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2/struc.xyz' 2025-08-31T10:10:16,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3/struc.xyz' 2025-08-31T10:10:16,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4/struc.xyz' 2025-08-31T10:10:16,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5/struc.xyz' 2025-08-31T10:10:16,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6/struc.xyz' 2025-08-31T10:10:16,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7/struc.xyz' 2025-08-31T10:10:16,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2/struc.xyz' 2025-08-31T10:10:16,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3/struc.xyz' 2025-08-31T10:10:16,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4/struc.xyz' 2025-08-31T10:10:16,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5/struc.xyz' 2025-08-31T10:10:16,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6/struc.xyz' 2025-08-31T10:10:16,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7/struc.xyz' 2025-08-31T10:10:16,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1/struc.xyz' 2025-08-31T10:10:16,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10/struc.xyz' 2025-08-31T10:10:16,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A/struc.xyz' 2025-08-31T10:10:16,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B/struc.xyz' 2025-08-31T10:10:16,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11/struc.xyz' 2025-08-31T10:10:16,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A/struc.xyz' 2025-08-31T10:10:16,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B/struc.xyz' 2025-08-31T10:10:16,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12/struc.xyz' 2025-08-31T10:10:16,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A/struc.xyz' 2025-08-31T10:10:16,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B/struc.xyz' 2025-08-31T10:10:16,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13/struc.xyz' 2025-08-31T10:10:16,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A/struc.xyz' 2025-08-31T10:10:16,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B/struc.xyz' 2025-08-31T10:10:16,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14/struc.xyz' 2025-08-31T10:10:16,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A/struc.xyz' 2025-08-31T10:10:16,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B/struc.xyz' 2025-08-31T10:10:16,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15/struc.xyz' 2025-08-31T10:10:16,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A/struc.xyz' 2025-08-31T10:10:16,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B/struc.xyz' 2025-08-31T10:10:16,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16/struc.xyz' 2025-08-31T10:10:16,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A/struc.xyz' 2025-08-31T10:10:16,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B/struc.xyz' 2025-08-31T10:10:16,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17/struc.xyz' 2025-08-31T10:10:16,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A/struc.xyz' 2025-08-31T10:10:16,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B/struc.xyz' 2025-08-31T10:10:16,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18/struc.xyz' 2025-08-31T10:10:16,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A/struc.xyz' 2025-08-31T10:10:16,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B/struc.xyz' 2025-08-31T10:10:16,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19/struc.xyz' 2025-08-31T10:10:16,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A/struc.xyz' 2025-08-31T10:10:16,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B/struc.xyz' 2025-08-31T10:10:16,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A/struc.xyz' 2025-08-31T10:10:16,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B/struc.xyz' 2025-08-31T10:10:16,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2/struc.xyz' 2025-08-31T10:10:16,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20/struc.xyz' 2025-08-31T10:10:16,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A/struc.xyz' 2025-08-31T10:10:16,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B/struc.xyz' 2025-08-31T10:10:16,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21/struc.xyz' 2025-08-31T10:10:16,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A/struc.xyz' 2025-08-31T10:10:16,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B/struc.xyz' 2025-08-31T10:10:16,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A/struc.xyz' 2025-08-31T10:10:16,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B/struc.xyz' 2025-08-31T10:10:16,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3/struc.xyz' 2025-08-31T10:10:16,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A/struc.xyz' 2025-08-31T10:10:16,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B/struc.xyz' 2025-08-31T10:10:16,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4/struc.xyz' 2025-08-31T10:10:16,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A/struc.xyz' 2025-08-31T10:10:16,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B/struc.xyz' 2025-08-31T10:10:16,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5/struc.xyz' 2025-08-31T10:10:16,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A/struc.xyz' 2025-08-31T10:10:16,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B/struc.xyz' 2025-08-31T10:10:16,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6/struc.xyz' 2025-08-31T10:10:16,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A/struc.xyz' 2025-08-31T10:10:16,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B/struc.xyz' 2025-08-31T10:10:16,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7/struc.xyz' 2025-08-31T10:10:16,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A/struc.xyz' 2025-08-31T10:10:16,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B/struc.xyz' 2025-08-31T10:10:16,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8/struc.xyz' 2025-08-31T10:10:16,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A/struc.xyz' 2025-08-31T10:10:16,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B/struc.xyz' 2025-08-31T10:10:16,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9/struc.xyz' 2025-08-31T10:10:16,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A/struc.xyz' 2025-08-31T10:10:16,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B/struc.xyz' 2025-08-31T10:10:16,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6/struc.xyz' 2025-08-31T10:10:16,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6/struc.xyz' 2025-08-31T10:10:16,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6/struc.xyz' 2025-08-31T10:10:16,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4/struc.xyz' 2025-08-31T10:10:16,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5/struc.xyz' 2025-08-31T10:10:16,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6/struc.xyz' 2025-08-31T10:10:16,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3/struc.xyz' 2025-08-31T10:10:16,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3/struc.xyz' 2025-08-31T10:10:16,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3/struc.xyz' 2025-08-31T10:10:16,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2/struc.xyz' 2025-08-31T10:10:16,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3/struc.xyz' 2025-08-31T10:10:16,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+/struc.xyz' 2025-08-31T10:10:16,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2/struc.xyz' 2025-08-31T10:10:16,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz' 2025-08-31T10:10:16,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4/struc.xyz' 2025-08-31T10:10:16,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me/struc.xyz' 2025-08-31T10:10:16,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c/struc.xyz' 2025-08-31T10:10:16,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4/struc.xyz' 2025-08-31T10:10:16,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch/struc.xyz' 2025-08-31T10:10:16,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8/struc.xyz' 2025-08-31T10:10:16,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n/struc.xyz' 2025-08-31T10:10:16,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h/struc.xyz' 2025-08-31T10:10:16,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me/struc.xyz' 2025-08-31T10:10:16,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2/struc.xyz' 2025-08-31T10:10:16,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+/struc.xyz' 2025-08-31T10:10:16,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2/struc.xyz' 2025-08-31T10:10:16,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2/struc.xyz' 2025-08-31T10:10:16,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8/struc.xyz' 2025-08-31T10:10:16,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be/struc.xyz' 2025-08-31T10:10:16,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef/struc.xyz' 2025-08-31T10:10:16,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo/struc.xyz' 2025-08-31T10:10:16,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca/struc.xyz' 2025-08-31T10:10:16,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao/struc.xyz' 2025-08-31T10:10:16,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f/struc.xyz' 2025-08-31T10:10:16,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h/struc.xyz' 2025-08-31T10:10:16,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf/struc.xyz' 2025-08-31T10:10:16,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k/struc.xyz' 2025-08-31T10:10:16,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf/struc.xyz' 2025-08-31T10:10:16,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li/struc.xyz' 2025-08-31T10:10:16,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif/struc.xyz' 2025-08-31T10:10:16,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio/struc.xyz' 2025-08-31T10:10:16,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg/struc.xyz' 2025-08-31T10:10:16,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo/struc.xyz' 2025-08-31T10:10:16,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs/struc.xyz' 2025-08-31T10:10:16,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na/struc.xyz' 2025-08-31T10:10:16,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao/struc.xyz' 2025-08-31T10:10:16,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o/struc.xyz' 2025-08-31T10:10:16,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s/struc.xyz' 2025-08-31T10:10:16,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab/struc.xyz' 2025-08-31T10:10:16,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac/struc.xyz' 2025-08-31T10:10:16,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag/struc.xyz' 2025-08-31T10:10:16,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai/struc.xyz' 2025-08-31T10:10:16,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak/struc.xyz' 2025-08-31T10:10:16,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak/struc.xyz' 2025-08-31T10:10:16,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz' 2025-08-31T10:10:16,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz' 2025-08-31T10:10:16,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby/struc.xyz' 2025-08-31T10:10:16,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci/struc.xyz' 2025-08-31T10:10:16,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab/struc.xyz' 2025-08-31T10:10:16,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae/struc.xyz' 2025-08-31T10:10:16,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz' 2025-08-31T10:10:16,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah/struc.xyz' 2025-08-31T10:10:16,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz' 2025-08-31T10:10:16,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad/struc.xyz' 2025-08-31T10:10:16,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau/struc.xyz' 2025-08-31T10:10:16,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay/struc.xyz' 2025-08-31T10:10:16,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz' 2025-08-31T10:10:16,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz' 2025-08-31T10:10:16,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag/struc.xyz' 2025-08-31T10:10:16,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah/struc.xyz' 2025-08-31T10:10:16,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai/struc.xyz' 2025-08-31T10:10:16,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal/struc.xyz' 2025-08-31T10:10:16,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao/struc.xyz' 2025-08-31T10:10:16,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai/struc.xyz' 2025-08-31T10:10:16,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal/struc.xyz' 2025-08-31T10:10:16,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan/struc.xyz' 2025-08-31T10:10:16,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap/struc.xyz' 2025-08-31T10:10:16,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat/struc.xyz' 2025-08-31T10:10:16,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad/struc.xyz' 2025-08-31T10:10:16,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal/struc.xyz' 2025-08-31T10:10:16,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar/struc.xyz' 2025-08-31T10:10:16,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav/struc.xyz' 2025-08-31T10:10:16,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz' 2025-08-31T10:10:16,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab/struc.xyz' 2025-08-31T10:10:16,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac/struc.xyz' 2025-08-31T10:10:16,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad/struc.xyz' 2025-08-31T10:10:16,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae/struc.xyz' 2025-08-31T10:10:16,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag/struc.xyz' 2025-08-31T10:10:16,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah/struc.xyz' 2025-08-31T10:10:16,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam/struc.xyz' 2025-08-31T10:10:16,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz' 2025-08-31T10:10:16,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau/struc.xyz' 2025-08-31T10:10:16,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav/struc.xyz' 2025-08-31T10:10:16,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae/struc.xyz' 2025-08-31T10:10:16,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag/struc.xyz' 2025-08-31T10:10:16,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz' 2025-08-31T10:10:16,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak/struc.xyz' 2025-08-31T10:10:16,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz' 2025-08-31T10:10:16,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad/struc.xyz' 2025-08-31T10:10:16,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae/struc.xyz' 2025-08-31T10:10:16,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap/struc.xyz' 2025-08-31T10:10:16,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz' 2025-08-31T10:10:16,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz' 2025-08-31T10:10:16,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan/struc.xyz' 2025-08-31T10:10:16,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao/struc.xyz' 2025-08-31T10:10:16,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap/struc.xyz' 2025-08-31T10:10:16,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas/struc.xyz' 2025-08-31T10:10:16,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat/struc.xyz' 2025-08-31T10:10:16,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag/struc.xyz' 2025-08-31T10:10:16,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav/struc.xyz' 2025-08-31T10:10:16,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf/struc.xyz' 2025-08-31T10:10:16,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm/struc.xyz' 2025-08-31T10:10:16,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo/struc.xyz' 2025-08-31T10:10:16,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab/struc.xyz' 2025-08-31T10:10:16,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal/struc.xyz' 2025-08-31T10:10:16,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan/struc.xyz' 2025-08-31T10:10:16,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar/struc.xyz' 2025-08-31T10:10:16,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz' 2025-08-31T10:10:16,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab/struc.xyz' 2025-08-31T10:10:16,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac/struc.xyz' 2025-08-31T10:10:16,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad/struc.xyz' 2025-08-31T10:10:16,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae/struc.xyz' 2025-08-31T10:10:16,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz' 2025-08-31T10:10:16,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad/struc.xyz' 2025-08-31T10:10:16,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf/struc.xyz' 2025-08-31T10:10:16,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah/struc.xyz' 2025-08-31T10:10:16,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak/struc.xyz' 2025-08-31T10:10:16,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar/struc.xyz' 2025-08-31T10:10:16,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab/struc.xyz' 2025-08-31T10:10:16,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag/struc.xyz' 2025-08-31T10:10:16,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah/struc.xyz' 2025-08-31T10:10:16,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal/struc.xyz' 2025-08-31T10:10:16,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq/struc.xyz' 2025-08-31T10:10:16,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac/struc.xyz' 2025-08-31T10:10:16,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz' 2025-08-31T10:10:16,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag/struc.xyz' 2025-08-31T10:10:16,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah/struc.xyz' 2025-08-31T10:10:16,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao/struc.xyz' 2025-08-31T10:10:16,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab/struc.xyz' 2025-08-31T10:10:16,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag/struc.xyz' 2025-08-31T10:10:16,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah/struc.xyz' 2025-08-31T10:10:16,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan/struc.xyz' 2025-08-31T10:10:17,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar/struc.xyz' 2025-08-31T10:10:17,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad/struc.xyz' 2025-08-31T10:10:17,004 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz' 2025-08-31T10:10:17,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah/struc.xyz' 2025-08-31T10:10:17,007 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz' 2025-08-31T10:10:17,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak/struc.xyz' 2025-08-31T10:10:17,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5/struc.xyz' 2025-08-31T10:10:17,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6/struc.xyz' 2025-08-31T10:10:17,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8/struc.xyz' 2025-08-31T10:10:17,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH/struc.xyz' 2025-08-31T10:10:17,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4/struc.xyz' 2025-08-31T10:10:17,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2/struc.xyz' 2025-08-31T10:10:17,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O/struc.xyz' 2025-08-31T10:10:17,024 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S/struc.xyz' 2025-08-31T10:10:17,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS/struc.xyz' 2025-08-31T10:10:17,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H/struc.xyz' 2025-08-31T10:10:17,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2/struc.xyz' 2025-08-31T10:10:17,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH/struc.xyz' 2025-08-31T10:10:17,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2/struc.xyz' 2025-08-31T10:10:17,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3/struc.xyz' 2025-08-31T10:10:17,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O/struc.xyz' 2025-08-31T10:10:17,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2/struc.xyz' 2025-08-31T10:10:17,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3/struc.xyz' 2025-08-31T10:10:17,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01/struc.xyz' 2025-08-31T10:10:17,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02/struc.xyz' 2025-08-31T10:10:17,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03/struc.xyz' 2025-08-31T10:10:17,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04/struc.xyz' 2025-08-31T10:10:17,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05/struc.xyz' 2025-08-31T10:10:17,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06/struc.xyz' 2025-08-31T10:10:17,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07/struc.xyz' 2025-08-31T10:10:17,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08/struc.xyz' 2025-08-31T10:10:17,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09/struc.xyz' 2025-08-31T10:10:17,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10/struc.xyz' 2025-08-31T10:10:17,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11/struc.xyz' 2025-08-31T10:10:17,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12/struc.xyz' 2025-08-31T10:10:17,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13/struc.xyz' 2025-08-31T10:10:17,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14/struc.xyz' 2025-08-31T10:10:17,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15/struc.xyz' 2025-08-31T10:10:17,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16/struc.xyz' 2025-08-31T10:10:17,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17/struc.xyz' 2025-08-31T10:10:17,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18/struc.xyz' 2025-08-31T10:10:17,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19/struc.xyz' 2025-08-31T10:10:17,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20/struc.xyz' 2025-08-31T10:10:17,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21/struc.xyz' 2025-08-31T10:10:17,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22/struc.xyz' 2025-08-31T10:10:17,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4/struc.xyz' 2025-08-31T10:10:17,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5/struc.xyz' 2025-08-31T10:10:17,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts/struc.xyz' 2025-08-31T10:10:17,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7/struc.xyz' 2025-08-31T10:10:17,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts/struc.xyz' 2025-08-31T10:10:17,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3/struc.xyz' 2025-08-31T10:10:17,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl/struc.xyz' 2025-08-31T10:10:17,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f/struc.xyz' 2025-08-31T10:10:17,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts/struc.xyz' 2025-08-31T10:10:17,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh/struc.xyz' 2025-08-31T10:10:17,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl/struc.xyz' 2025-08-31T10:10:17,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-/struc.xyz' 2025-08-31T10:10:17,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp/struc.xyz' 2025-08-31T10:10:17,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts/struc.xyz' 2025-08-31T10:10:17,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf/struc.xyz' 2025-08-31T10:10:17,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co/struc.xyz' 2025-08-31T10:10:17,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f/struc.xyz' 2025-08-31T10:10:17,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-/struc.xyz' 2025-08-31T10:10:17,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2/struc.xyz' 2025-08-31T10:10:17,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1/struc.xyz' 2025-08-31T10:10:17,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2/struc.xyz' 2025-08-31T10:10:17,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts/struc.xyz' 2025-08-31T10:10:17,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp/struc.xyz' 2025-08-31T10:10:17,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts/struc.xyz' 2025-08-31T10:10:17,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h/struc.xyz' 2025-08-31T10:10:17,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts/struc.xyz' 2025-08-31T10:10:17,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl/struc.xyz' 2025-08-31T10:10:17,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts/struc.xyz' 2025-08-31T10:10:17,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn/struc.xyz' 2025-08-31T10:10:17,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts/struc.xyz' 2025-08-31T10:10:17,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco/struc.xyz' 2025-08-31T10:10:17,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots/struc.xyz' 2025-08-31T10:10:17,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf/struc.xyz' 2025-08-31T10:10:17,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts/struc.xyz' 2025-08-31T10:10:17,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts/struc.xyz' 2025-08-31T10:10:17,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts/struc.xyz' 2025-08-31T10:10:17,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2/struc.xyz' 2025-08-31T10:10:17,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts/struc.xyz' 2025-08-31T10:10:17,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc/struc.xyz' 2025-08-31T10:10:17,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1/struc.xyz' 2025-08-31T10:10:17,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2/struc.xyz' 2025-08-31T10:10:17,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts/struc.xyz' 2025-08-31T10:10:17,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2/struc.xyz' 2025-08-31T10:10:17,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o/struc.xyz' 2025-08-31T10:10:17,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts/struc.xyz' 2025-08-31T10:10:17,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh/struc.xyz' 2025-08-31T10:10:17,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-/struc.xyz' 2025-08-31T10:10:17,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5/struc.xyz' 2025-08-31T10:10:17,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6/struc.xyz' 2025-08-31T10:10:17,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8/struc.xyz' 2025-08-31T10:10:17,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH/struc.xyz' 2025-08-31T10:10:17,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4/struc.xyz' 2025-08-31T10:10:17,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2/struc.xyz' 2025-08-31T10:10:17,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O/struc.xyz' 2025-08-31T10:10:17,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S/struc.xyz' 2025-08-31T10:10:17,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS/struc.xyz' 2025-08-31T10:10:17,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H/struc.xyz' 2025-08-31T10:10:17,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2/struc.xyz' 2025-08-31T10:10:17,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH/struc.xyz' 2025-08-31T10:10:17,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2/struc.xyz' 2025-08-31T10:10:17,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3/struc.xyz' 2025-08-31T10:10:17,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O/struc.xyz' 2025-08-31T10:10:17,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2/struc.xyz' 2025-08-31T10:10:17,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3/struc.xyz' 2025-08-31T10:10:17,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01/struc.xyz' 2025-08-31T10:10:17,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02/struc.xyz' 2025-08-31T10:10:17,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03/struc.xyz' 2025-08-31T10:10:17,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04/struc.xyz' 2025-08-31T10:10:17,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05/struc.xyz' 2025-08-31T10:10:17,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06/struc.xyz' 2025-08-31T10:10:17,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07/struc.xyz' 2025-08-31T10:10:17,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08/struc.xyz' 2025-08-31T10:10:17,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09/struc.xyz' 2025-08-31T10:10:17,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10/struc.xyz' 2025-08-31T10:10:17,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11/struc.xyz' 2025-08-31T10:10:17,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12/struc.xyz' 2025-08-31T10:10:17,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13/struc.xyz' 2025-08-31T10:10:17,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14/struc.xyz' 2025-08-31T10:10:17,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15/struc.xyz' 2025-08-31T10:10:17,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16/struc.xyz' 2025-08-31T10:10:17,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17/struc.xyz' 2025-08-31T10:10:17,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18/struc.xyz' 2025-08-31T10:10:17,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19/struc.xyz' 2025-08-31T10:10:17,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20/struc.xyz' 2025-08-31T10:10:17,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21/struc.xyz' 2025-08-31T10:10:17,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22/struc.xyz' 2025-08-31T10:10:17,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4/struc.xyz' 2025-08-31T10:10:17,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5/struc.xyz' 2025-08-31T10:10:17,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts/struc.xyz' 2025-08-31T10:10:17,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7/struc.xyz' 2025-08-31T10:10:17,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts/struc.xyz' 2025-08-31T10:10:17,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3/struc.xyz' 2025-08-31T10:10:17,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl/struc.xyz' 2025-08-31T10:10:17,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f/struc.xyz' 2025-08-31T10:10:17,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts/struc.xyz' 2025-08-31T10:10:17,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh/struc.xyz' 2025-08-31T10:10:17,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl/struc.xyz' 2025-08-31T10:10:17,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-/struc.xyz' 2025-08-31T10:10:17,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp/struc.xyz' 2025-08-31T10:10:17,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts/struc.xyz' 2025-08-31T10:10:17,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf/struc.xyz' 2025-08-31T10:10:17,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co/struc.xyz' 2025-08-31T10:10:17,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f/struc.xyz' 2025-08-31T10:10:17,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-/struc.xyz' 2025-08-31T10:10:17,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2/struc.xyz' 2025-08-31T10:10:17,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz' 2025-08-31T10:10:17,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz' 2025-08-31T10:10:17,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts/struc.xyz' 2025-08-31T10:10:17,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp/struc.xyz' 2025-08-31T10:10:17,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts/struc.xyz' 2025-08-31T10:10:17,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h/struc.xyz' 2025-08-31T10:10:17,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts/struc.xyz' 2025-08-31T10:10:17,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl/struc.xyz' 2025-08-31T10:10:17,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts/struc.xyz' 2025-08-31T10:10:17,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn/struc.xyz' 2025-08-31T10:10:17,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts/struc.xyz' 2025-08-31T10:10:17,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco/struc.xyz' 2025-08-31T10:10:17,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots/struc.xyz' 2025-08-31T10:10:17,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf/struc.xyz' 2025-08-31T10:10:17,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts/struc.xyz' 2025-08-31T10:10:17,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts/struc.xyz' 2025-08-31T10:10:17,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts/struc.xyz' 2025-08-31T10:10:17,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2/struc.xyz' 2025-08-31T10:10:17,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts/struc.xyz' 2025-08-31T10:10:17,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc/struc.xyz' 2025-08-31T10:10:17,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz' 2025-08-31T10:10:17,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz' 2025-08-31T10:10:17,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts/struc.xyz' 2025-08-31T10:10:17,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2/struc.xyz' 2025-08-31T10:10:17,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o/struc.xyz' 2025-08-31T10:10:17,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts/struc.xyz' 2025-08-31T10:10:17,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh/struc.xyz' 2025-08-31T10:10:17,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-/struc.xyz' 2025-08-31T10:10:17,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1/struc.xyz' 2025-08-31T10:10:17,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10/struc.xyz' 2025-08-31T10:10:17,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2/struc.xyz' 2025-08-31T10:10:17,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3/struc.xyz' 2025-08-31T10:10:17,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4/struc.xyz' 2025-08-31T10:10:17,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5/struc.xyz' 2025-08-31T10:10:17,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6/struc.xyz' 2025-08-31T10:10:17,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7/struc.xyz' 2025-08-31T10:10:17,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8/struc.xyz' 2025-08-31T10:10:17,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9/struc.xyz' 2025-08-31T10:10:17,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1/struc.xyz' 2025-08-31T10:10:17,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10/struc.xyz' 2025-08-31T10:10:17,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2/struc.xyz' 2025-08-31T10:10:17,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3/struc.xyz' 2025-08-31T10:10:17,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4/struc.xyz' 2025-08-31T10:10:17,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5/struc.xyz' 2025-08-31T10:10:17,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6/struc.xyz' 2025-08-31T10:10:17,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7/struc.xyz' 2025-08-31T10:10:17,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8/struc.xyz' 2025-08-31T10:10:17,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9/struc.xyz' 2025-08-31T10:10:17,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r/struc.xyz' 2025-08-31T10:10:17,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r/struc.xyz' 2025-08-31T10:10:17,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts/struc.xyz' 2025-08-31T10:10:17,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r/struc.xyz' 2025-08-31T10:10:17,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts/struc.xyz' 2025-08-31T10:10:17,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r/struc.xyz' 2025-08-31T10:10:17,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts/struc.xyz' 2025-08-31T10:10:17,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r/struc.xyz' 2025-08-31T10:10:17,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts/struc.xyz' 2025-08-31T10:10:17,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r/struc.xyz' 2025-08-31T10:10:17,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts/struc.xyz' 2025-08-31T10:10:17,351 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts/struc.xyz' 2025-08-31T10:10:17,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r/struc.xyz' 2025-08-31T10:10:17,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts/struc.xyz' 2025-08-31T10:10:17,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts/struc.xyz' 2025-08-31T10:10:17,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r/struc.xyz' 2025-08-31T10:10:17,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts/struc.xyz' 2025-08-31T10:10:17,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz' 2025-08-31T10:10:17,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz' 2025-08-31T10:10:17,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz' 2025-08-31T10:10:17,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz' 2025-08-31T10:10:17,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz' 2025-08-31T10:10:17,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4/struc.xyz' 2025-08-31T10:10:17,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1/struc.xyz' 2025-08-31T10:10:17,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2/struc.xyz' 2025-08-31T10:10:17,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3/struc.xyz' 2025-08-31T10:10:17,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4/struc.xyz' 2025-08-31T10:10:17,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5/struc.xyz' 2025-08-31T10:10:17,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6/struc.xyz' 2025-08-31T10:10:17,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7/struc.xyz' 2025-08-31T10:10:17,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8/struc.xyz' 2025-08-31T10:10:17,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9/struc.xyz' 2025-08-31T10:10:17,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a/struc.xyz' 2025-08-31T10:10:17,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a/struc.xyz' 2025-08-31T10:10:17,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a/struc.xyz' 2025-08-31T10:10:17,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a/struc.xyz' 2025-08-31T10:10:17,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a/struc.xyz' 2025-08-31T10:10:17,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a/struc.xyz' 2025-08-31T10:10:17,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a/struc.xyz' 2025-08-31T10:10:17,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a/struc.xyz' 2025-08-31T10:10:17,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a/struc.xyz' 2025-08-31T10:10:17,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz' 2025-08-31T10:10:17,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz' 2025-08-31T10:10:17,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene/struc.xyz' 2025-08-31T10:10:17,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene/struc.xyz' 2025-08-31T10:10:17,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz' 2025-08-31T10:10:17,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene/struc.xyz' 2025-08-31T10:10:17,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene/struc.xyz' 2025-08-31T10:10:17,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1/struc.xyz' 2025-08-31T10:10:17,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10/struc.xyz' 2025-08-31T10:10:17,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11/struc.xyz' 2025-08-31T10:10:17,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2/struc.xyz' 2025-08-31T10:10:17,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3/struc.xyz' 2025-08-31T10:10:17,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4/struc.xyz' 2025-08-31T10:10:17,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5/struc.xyz' 2025-08-31T10:10:17,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6/struc.xyz' 2025-08-31T10:10:17,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7/struc.xyz' 2025-08-31T10:10:17,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8/struc.xyz' 2025-08-31T10:10:17,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9/struc.xyz' 2025-08-31T10:10:17,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz' 2025-08-31T10:10:17,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz' 2025-08-31T10:10:17,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC/struc.xyz' 2025-08-31T10:10:17,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz' 2025-08-31T10:10:17,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz' 2025-08-31T10:10:17,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS/struc.xyz' 2025-08-31T10:10:17,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti/struc.xyz' 2025-08-31T10:10:17,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn/struc.xyz' 2025-08-31T10:10:17,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl/struc.xyz' 2025-08-31T10:10:17,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz' 2025-08-31T10:10:17,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz' 2025-08-31T10:10:17,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz' 2025-08-31T10:10:17,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz' 2025-08-31T10:10:17,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS/struc.xyz' 2025-08-31T10:10:17,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis/struc.xyz' 2025-08-31T10:10:17,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans/struc.xyz' 2025-08-31T10:10:17,479 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl/struc.xyz' 2025-08-31T10:10:17,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st/struc.xyz' 2025-08-31T10:10:17,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz' 2025-08-31T10:10:17,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz' 2025-08-31T10:10:17,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz' 2025-08-31T10:10:17,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz' 2025-08-31T10:10:17,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2/struc.xyz' 2025-08-31T10:10:17,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis/struc.xyz' 2025-08-31T10:10:17,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans/struc.xyz' 2025-08-31T10:10:17,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2/struc.xyz' 2025-08-31T10:10:17,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis/struc.xyz' 2025-08-31T10:10:17,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans/struc.xyz' 2025-08-31T10:10:17,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl/struc.xyz' 2025-08-31T10:10:17,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st/struc.xyz' 2025-08-31T10:10:17,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz' 2025-08-31T10:10:17,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st/struc.xyz' 2025-08-31T10:10:17,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz' 2025-08-31T10:10:17,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz' 2025-08-31T10:10:17,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1/struc.xyz' 2025-08-31T10:10:17,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz' 2025-08-31T10:10:17,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz' 2025-08-31T10:10:17,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz' 2025-08-31T10:10:17,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0/struc.xyz' 2025-08-31T10:10:17,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120/struc.xyz' 2025-08-31T10:10:17,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180/struc.xyz' 2025-08-31T10:10:17,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60/struc.xyz' 2025-08-31T10:10:17,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1/struc.xyz' 2025-08-31T10:10:17,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2/struc.xyz' 2025-08-31T10:10:17,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6/struc.xyz' 2025-08-31T10:10:17,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3/struc.xyz' 2025-08-31T10:10:17,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4/struc.xyz' 2025-08-31T10:10:17,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5/struc.xyz' 2025-08-31T10:10:17,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4/struc.xyz' 2025-08-31T10:10:17,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1/struc.xyz' 2025-08-31T10:10:17,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10/struc.xyz' 2025-08-31T10:10:17,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11/struc.xyz' 2025-08-31T10:10:17,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12/struc.xyz' 2025-08-31T10:10:17,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13/struc.xyz' 2025-08-31T10:10:17,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14/struc.xyz' 2025-08-31T10:10:17,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15/struc.xyz' 2025-08-31T10:10:17,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2/struc.xyz' 2025-08-31T10:10:17,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3/struc.xyz' 2025-08-31T10:10:17,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4/struc.xyz' 2025-08-31T10:10:17,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5/struc.xyz' 2025-08-31T10:10:17,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6/struc.xyz' 2025-08-31T10:10:17,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7/struc.xyz' 2025-08-31T10:10:17,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8/struc.xyz' 2025-08-31T10:10:17,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9/struc.xyz' 2025-08-31T10:10:17,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1/struc.xyz' 2025-08-31T10:10:17,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10/struc.xyz' 2025-08-31T10:10:17,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11/struc.xyz' 2025-08-31T10:10:17,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12/struc.xyz' 2025-08-31T10:10:17,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13/struc.xyz' 2025-08-31T10:10:17,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14/struc.xyz' 2025-08-31T10:10:17,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15/struc.xyz' 2025-08-31T10:10:17,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16/struc.xyz' 2025-08-31T10:10:17,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2/struc.xyz' 2025-08-31T10:10:17,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3/struc.xyz' 2025-08-31T10:10:17,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4/struc.xyz' 2025-08-31T10:10:17,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5/struc.xyz' 2025-08-31T10:10:17,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6/struc.xyz' 2025-08-31T10:10:17,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7/struc.xyz' 2025-08-31T10:10:17,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8/struc.xyz' 2025-08-31T10:10:17,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9/struc.xyz' 2025-08-31T10:10:17,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1/struc.xyz' 2025-08-31T10:10:17,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10/struc.xyz' 2025-08-31T10:10:17,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11/struc.xyz' 2025-08-31T10:10:17,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12/struc.xyz' 2025-08-31T10:10:17,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13/struc.xyz' 2025-08-31T10:10:17,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14/struc.xyz' 2025-08-31T10:10:17,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15/struc.xyz' 2025-08-31T10:10:17,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16/struc.xyz' 2025-08-31T10:10:17,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17/struc.xyz' 2025-08-31T10:10:17,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18/struc.xyz' 2025-08-31T10:10:17,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19/struc.xyz' 2025-08-31T10:10:17,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2/struc.xyz' 2025-08-31T10:10:17,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20/struc.xyz' 2025-08-31T10:10:17,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21/struc.xyz' 2025-08-31T10:10:17,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22/struc.xyz' 2025-08-31T10:10:17,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23/struc.xyz' 2025-08-31T10:10:17,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24/struc.xyz' 2025-08-31T10:10:17,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25/struc.xyz' 2025-08-31T10:10:17,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26/struc.xyz' 2025-08-31T10:10:17,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27/struc.xyz' 2025-08-31T10:10:17,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28/struc.xyz' 2025-08-31T10:10:17,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29/struc.xyz' 2025-08-31T10:10:17,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3/struc.xyz' 2025-08-31T10:10:17,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30/struc.xyz' 2025-08-31T10:10:17,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31/struc.xyz' 2025-08-31T10:10:17,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32/struc.xyz' 2025-08-31T10:10:17,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33/struc.xyz' 2025-08-31T10:10:17,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34/struc.xyz' 2025-08-31T10:10:17,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35/struc.xyz' 2025-08-31T10:10:17,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36/struc.xyz' 2025-08-31T10:10:17,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37/struc.xyz' 2025-08-31T10:10:17,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38/struc.xyz' 2025-08-31T10:10:17,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39/struc.xyz' 2025-08-31T10:10:17,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4/struc.xyz' 2025-08-31T10:10:17,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40/struc.xyz' 2025-08-31T10:10:17,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41/struc.xyz' 2025-08-31T10:10:17,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42/struc.xyz' 2025-08-31T10:10:17,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43/struc.xyz' 2025-08-31T10:10:17,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44/struc.xyz' 2025-08-31T10:10:17,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45/struc.xyz' 2025-08-31T10:10:17,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46/struc.xyz' 2025-08-31T10:10:17,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47/struc.xyz' 2025-08-31T10:10:17,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48/struc.xyz' 2025-08-31T10:10:17,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49/struc.xyz' 2025-08-31T10:10:17,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5/struc.xyz' 2025-08-31T10:10:17,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50/struc.xyz' 2025-08-31T10:10:17,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51/struc.xyz' 2025-08-31T10:10:17,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52/struc.xyz' 2025-08-31T10:10:17,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53/struc.xyz' 2025-08-31T10:10:17,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54/struc.xyz' 2025-08-31T10:10:17,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55/struc.xyz' 2025-08-31T10:10:17,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56/struc.xyz' 2025-08-31T10:10:17,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57/struc.xyz' 2025-08-31T10:10:17,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58/struc.xyz' 2025-08-31T10:10:17,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59/struc.xyz' 2025-08-31T10:10:17,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6/struc.xyz' 2025-08-31T10:10:17,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60/struc.xyz' 2025-08-31T10:10:17,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61/struc.xyz' 2025-08-31T10:10:17,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62/struc.xyz' 2025-08-31T10:10:17,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63/struc.xyz' 2025-08-31T10:10:17,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64/struc.xyz' 2025-08-31T10:10:17,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65/struc.xyz' 2025-08-31T10:10:17,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7/struc.xyz' 2025-08-31T10:10:17,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8/struc.xyz' 2025-08-31T10:10:17,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9/struc.xyz' 2025-08-31T10:10:17,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1/struc.xyz' 2025-08-31T10:10:17,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10/struc.xyz' 2025-08-31T10:10:17,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2/struc.xyz' 2025-08-31T10:10:17,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3/struc.xyz' 2025-08-31T10:10:17,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4/struc.xyz' 2025-08-31T10:10:17,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5/struc.xyz' 2025-08-31T10:10:17,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6/struc.xyz' 2025-08-31T10:10:17,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7/struc.xyz' 2025-08-31T10:10:17,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8/struc.xyz' 2025-08-31T10:10:17,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9/struc.xyz' 2025-08-31T10:10:17,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL/struc.xyz' 2025-08-31T10:10:17,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A/struc.xyz' 2025-08-31T10:10:17,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B/struc.xyz' 2025-08-31T10:10:17,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N/struc.xyz' 2025-08-31T10:10:17,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A/struc.xyz' 2025-08-31T10:10:17,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B/struc.xyz' 2025-08-31T10:10:17,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O/struc.xyz' 2025-08-31T10:10:17,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A/struc.xyz' 2025-08-31T10:10:17,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B/struc.xyz' 2025-08-31T10:10:17,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL/struc.xyz' 2025-08-31T10:10:17,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A/struc.xyz' 2025-08-31T10:10:17,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B/struc.xyz' 2025-08-31T10:10:17,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N/struc.xyz' 2025-08-31T10:10:17,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A/struc.xyz' 2025-08-31T10:10:17,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B/struc.xyz' 2025-08-31T10:10:17,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O/struc.xyz' 2025-08-31T10:10:17,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A/struc.xyz' 2025-08-31T10:10:17,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B/struc.xyz' 2025-08-31T10:10:17,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL/struc.xyz' 2025-08-31T10:10:17,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A/struc.xyz' 2025-08-31T10:10:17,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B/struc.xyz' 2025-08-31T10:10:17,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N/struc.xyz' 2025-08-31T10:10:17,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A/struc.xyz' 2025-08-31T10:10:17,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B/struc.xyz' 2025-08-31T10:10:17,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O/struc.xyz' 2025-08-31T10:10:17,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A/struc.xyz' 2025-08-31T10:10:17,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B/struc.xyz' 2025-08-31T10:10:17,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL/struc.xyz' 2025-08-31T10:10:17,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A/struc.xyz' 2025-08-31T10:10:17,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B/struc.xyz' 2025-08-31T10:10:17,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N/struc.xyz' 2025-08-31T10:10:17,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A/struc.xyz' 2025-08-31T10:10:17,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B/struc.xyz' 2025-08-31T10:10:17,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O/struc.xyz' 2025-08-31T10:10:17,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A/struc.xyz' 2025-08-31T10:10:17,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B/struc.xyz' 2025-08-31T10:10:17,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20/struc.xyz' 2025-08-31T10:10:17,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22/struc.xyz' 2025-08-31T10:10:17,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25/struc.xyz' 2025-08-31T10:10:17,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26/struc.xyz' 2025-08-31T10:10:17,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40/struc.xyz' 2025-08-31T10:10:17,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43/struc.xyz' 2025-08-31T10:10:17,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44/struc.xyz' 2025-08-31T10:10:17,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45/struc.xyz' 2025-08-31T10:10:17,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46/struc.xyz' 2025-08-31T10:10:17,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47/struc.xyz' 2025-08-31T10:10:17,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48/struc.xyz' 2025-08-31T10:10:17,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49/struc.xyz' 2025-08-31T10:10:17,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51/struc.xyz' 2025-08-31T10:10:17,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52/struc.xyz' 2025-08-31T10:10:17,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56/struc.xyz' 2025-08-31T10:10:17,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60/struc.xyz' 2025-08-31T10:10:17,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20/struc.xyz' 2025-08-31T10:10:17,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21/struc.xyz' 2025-08-31T10:10:17,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22/struc.xyz' 2025-08-31T10:10:17,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25/struc.xyz' 2025-08-31T10:10:17,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26/struc.xyz' 2025-08-31T10:10:17,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28/struc.xyz' 2025-08-31T10:10:17,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29/struc.xyz' 2025-08-31T10:10:17,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40/struc.xyz' 2025-08-31T10:10:17,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43/struc.xyz' 2025-08-31T10:10:17,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44/struc.xyz' 2025-08-31T10:10:17,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45/struc.xyz' 2025-08-31T10:10:17,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46/struc.xyz' 2025-08-31T10:10:17,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47/struc.xyz' 2025-08-31T10:10:17,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48/struc.xyz' 2025-08-31T10:10:17,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49/struc.xyz' 2025-08-31T10:10:17,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51/struc.xyz' 2025-08-31T10:10:17,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52/struc.xyz' 2025-08-31T10:10:17,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56/struc.xyz' 2025-08-31T10:10:17,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57/struc.xyz' 2025-08-31T10:10:17,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60/struc.xyz' 2025-08-31T10:10:17,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22/struc.xyz' 2025-08-31T10:10:17,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A/struc.xyz' 2025-08-31T10:10:17,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B/struc.xyz' 2025-08-31T10:10:17,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23/struc.xyz' 2025-08-31T10:10:17,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A/struc.xyz' 2025-08-31T10:10:17,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B/struc.xyz' 2025-08-31T10:10:17,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24/struc.xyz' 2025-08-31T10:10:17,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A/struc.xyz' 2025-08-31T10:10:17,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B/struc.xyz' 2025-08-31T10:10:17,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25/struc.xyz' 2025-08-31T10:10:17,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A/struc.xyz' 2025-08-31T10:10:17,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B/struc.xyz' 2025-08-31T10:10:17,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26/struc.xyz' 2025-08-31T10:10:17,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A/struc.xyz' 2025-08-31T10:10:17,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B/struc.xyz' 2025-08-31T10:10:17,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27/struc.xyz' 2025-08-31T10:10:17,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A/struc.xyz' 2025-08-31T10:10:17,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B/struc.xyz' 2025-08-31T10:10:17,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1/struc.xyz' 2025-08-31T10:10:17,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10/struc.xyz' 2025-08-31T10:10:17,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X/struc.xyz' 2025-08-31T10:10:17,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2/struc.xyz' 2025-08-31T10:10:17,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3/struc.xyz' 2025-08-31T10:10:17,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4/struc.xyz' 2025-08-31T10:10:17,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5/struc.xyz' 2025-08-31T10:10:17,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6/struc.xyz' 2025-08-31T10:10:17,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7/struc.xyz' 2025-08-31T10:10:17,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X/struc.xyz' 2025-08-31T10:10:17,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8/struc.xyz' 2025-08-31T10:10:17,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X/struc.xyz' 2025-08-31T10:10:17,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9/struc.xyz' 2025-08-31T10:10:17,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X/struc.xyz' 2025-08-31T10:10:17,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene/struc.xyz' 2025-08-31T10:10:17,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene/struc.xyz' 2025-08-31T10:10:17,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene/struc.xyz' 2025-08-31T10:10:17,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene/struc.xyz' 2025-08-31T10:10:17,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine/struc.xyz' 2025-08-31T10:10:17,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane/struc.xyz' 2025-08-31T10:10:17,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein/struc.xyz' 2025-08-31T10:10:17,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH/struc.xyz' 2025-08-31T10:10:17,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip/struc.xyz' 2025-08-31T10:10:17,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6/struc.xyz' 2025-08-31T10:10:17,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6/struc.xyz' 2025-08-31T10:10:17,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2/struc.xyz' 2025-08-31T10:10:17,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL/struc.xyz' 2025-08-31T10:10:17,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz' 2025-08-31T10:10:17,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz' 2025-08-31T10:10:17,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35/struc.xyz' 2025-08-31T10:10:17,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36/struc.xyz' 2025-08-31T10:10:17,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35/struc.xyz' 2025-08-31T10:10:17,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36/struc.xyz' 2025-08-31T10:10:17,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be/struc.xyz' 2025-08-31T10:10:17,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4/struc.xyz' 2025-08-31T10:10:17,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl/struc.xyz' 2025-08-31T10:10:17,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage/struc.xyz' 2025-08-31T10:10:17,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2/struc.xyz' 2025-08-31T10:10:17,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4/struc.xyz' 2025-08-31T10:10:17,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1/struc.xyz' 2025-08-31T10:10:17,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2/struc.xyz' 2025-08-31T10:10:17,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2/struc.xyz' 2025-08-31T10:10:17,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen/struc.xyz' 2025-08-31T10:10:17,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene/struc.xyz' 2025-08-31T10:10:17,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne/struc.xyz' 2025-08-31T10:10:17,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3/struc.xyz' 2025-08-31T10:10:17,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add/struc.xyz' 2025-08-31T10:10:17,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add/struc.xyz' 2025-08-31T10:10:17,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb/struc.xyz' 2025-08-31T10:10:17,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2/struc.xyz' 2025-08-31T10:10:17,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8/struc.xyz' 2025-08-31T10:10:17,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen/struc.xyz' 2025-08-31T10:10:17,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be/struc.xyz' 2025-08-31T10:10:17,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+/struc.xyz' 2025-08-31T10:10:17,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4/struc.xyz' 2025-08-31T10:10:17,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz' 2025-08-31T10:10:17,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6/struc.xyz' 2025-08-31T10:10:17,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz' 2025-08-31T10:10:17,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4/struc.xyz' 2025-08-31T10:10:17,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz' 2025-08-31T10:10:17,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o/struc.xyz' 2025-08-31T10:10:17,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz' 2025-08-31T10:10:17,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s/struc.xyz' 2025-08-31T10:10:17,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+/struc.xyz' 2025-08-31T10:10:17,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg/struc.xyz' 2025-08-31T10:10:17,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+/struc.xyz' 2025-08-31T10:10:17,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2/struc.xyz' 2025-08-31T10:10:17,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz' 2025-08-31T10:10:17,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3/struc.xyz' 2025-08-31T10:10:18,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+/struc.xyz' 2025-08-31T10:10:18,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3/struc.xyz' 2025-08-31T10:10:18,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+/struc.xyz' 2025-08-31T10:10:18,007 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene/struc.xyz' 2025-08-31T10:10:18,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene/struc.xyz' 2025-08-31T10:10:18,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne/struc.xyz' 2025-08-31T10:10:18,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne/struc.xyz' 2025-08-31T10:10:18,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene/struc.xyz' 2025-08-31T10:10:18,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane/struc.xyz' 2025-08-31T10:10:18,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2/struc.xyz' 2025-08-31T10:10:18,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz' 2025-08-31T10:10:18,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz' 2025-08-31T10:10:18,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz' 2025-08-31T10:10:18,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H/struc.xyz' 2025-08-31T10:10:18,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2/struc.xyz' 2025-08-31T10:10:18,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2/struc.xyz' 2025-08-31T10:10:18,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO/struc.xyz' 2025-08-31T10:10:18,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN/struc.xyz' 2025-08-31T10:10:18,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz' 2025-08-31T10:10:18,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H/struc.xyz' 2025-08-31T10:10:18,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2/struc.xyz' 2025-08-31T10:10:18,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO/struc.xyz' 2025-08-31T10:10:18,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2/struc.xyz' 2025-08-31T10:10:18,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH/struc.xyz' 2025-08-31T10:10:18,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2/struc.xyz' 2025-08-31T10:10:18,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO/struc.xyz' 2025-08-31T10:10:18,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H/struc.xyz' 2025-08-31T10:10:18,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO/struc.xyz' 2025-08-31T10:10:18,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2/struc.xyz' 2025-08-31T10:10:18,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz' 2025-08-31T10:10:18,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2/struc.xyz' 2025-08-31T10:10:18,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO/struc.xyz' 2025-08-31T10:10:18,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H/struc.xyz' 2025-08-31T10:10:18,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H/struc.xyz' 2025-08-31T10:10:18,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O/struc.xyz' 2025-08-31T10:10:18,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO/struc.xyz' 2025-08-31T10:10:18,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2/struc.xyz' 2025-08-31T10:10:18,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2/struc.xyz' 2025-08-31T10:10:18,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz' 2025-08-31T10:10:18,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2/struc.xyz' 2025-08-31T10:10:18,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2/struc.xyz' 2025-08-31T10:10:18,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz' 2025-08-31T10:10:18,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO/struc.xyz' 2025-08-31T10:10:18,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O/struc.xyz' 2025-08-31T10:10:18,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2/struc.xyz' 2025-08-31T10:10:18,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S/struc.xyz' 2025-08-31T10:10:18,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN/struc.xyz' 2025-08-31T10:10:18,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11/struc.xyz' 2025-08-31T10:10:18,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz' 2025-08-31T10:10:18,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl/struc.xyz' 2025-08-31T10:10:18,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene/struc.xyz' 2025-08-31T10:10:18,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3/struc.xyz' 2025-08-31T10:10:18,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2/struc.xyz' 2025-08-31T10:10:18,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2/struc.xyz' 2025-08-31T10:10:18,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz' 2025-08-31T10:10:18,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol/struc.xyz' 2025-08-31T10:10:18,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene/struc.xyz' 2025-08-31T10:10:18,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine/struc.xyz' 2025-08-31T10:10:18,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane/struc.xyz' 2025-08-31T10:10:18,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane/struc.xyz' 2025-08-31T10:10:18,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane/struc.xyz' 2025-08-31T10:10:18,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole/struc.xyz' 2025-08-31T10:10:18,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz' 2025-08-31T10:10:18,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene/struc.xyz' 2025-08-31T10:10:18,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz' 2025-08-31T10:10:18,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne/struc.xyz' 2025-08-31T10:10:18,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione/struc.xyz' 2025-08-31T10:10:18,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne/struc.xyz' 2025-08-31T10:10:18,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol/struc.xyz' 2025-08-31T10:10:18,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz' 2025-08-31T10:10:18,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz' 2025-08-31T10:10:18,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz' 2025-08-31T10:10:18,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane/struc.xyz' 2025-08-31T10:10:18,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran/struc.xyz' 2025-08-31T10:10:18,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole/struc.xyz' 2025-08-31T10:10:18,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole/struc.xyz' 2025-08-31T10:10:18,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine/struc.xyz' 2025-08-31T10:10:18,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole/struc.xyz' 2025-08-31T10:10:18,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane/struc.xyz' 2025-08-31T10:10:18,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane/struc.xyz' 2025-08-31T10:10:18,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane/struc.xyz' 2025-08-31T10:10:18,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene/struc.xyz' 2025-08-31T10:10:18,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol/struc.xyz' 2025-08-31T10:10:18,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol/struc.xyz' 2025-08-31T10:10:18,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran/struc.xyz' 2025-08-31T10:10:18,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane/struc.xyz' 2025-08-31T10:10:18,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene/struc.xyz' 2025-08-31T10:10:18,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane/struc.xyz' 2025-08-31T10:10:18,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene/struc.xyz' 2025-08-31T10:10:18,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene/struc.xyz' 2025-08-31T10:10:18,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10/struc.xyz' 2025-08-31T10:10:18,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n/struc.xyz' 2025-08-31T10:10:18,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11/struc.xyz' 2025-08-31T10:10:18,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n/struc.xyz' 2025-08-31T10:10:18,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12/struc.xyz' 2025-08-31T10:10:18,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n/struc.xyz' 2025-08-31T10:10:18,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13/struc.xyz' 2025-08-31T10:10:18,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n/struc.xyz' 2025-08-31T10:10:18,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14/struc.xyz' 2025-08-31T10:10:18,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n/struc.xyz' 2025-08-31T10:10:18,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15/struc.xyz' 2025-08-31T10:10:18,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n/struc.xyz' 2025-08-31T10:10:18,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16/struc.xyz' 2025-08-31T10:10:18,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n/struc.xyz' 2025-08-31T10:10:18,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17/struc.xyz' 2025-08-31T10:10:18,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n/struc.xyz' 2025-08-31T10:10:18,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18/struc.xyz' 2025-08-31T10:10:18,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n/struc.xyz' 2025-08-31T10:10:18,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19/struc.xyz' 2025-08-31T10:10:18,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n/struc.xyz' 2025-08-31T10:10:18,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20/struc.xyz' 2025-08-31T10:10:18,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n/struc.xyz' 2025-08-31T10:10:18,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21/struc.xyz' 2025-08-31T10:10:18,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n/struc.xyz' 2025-08-31T10:10:18,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22/struc.xyz' 2025-08-31T10:10:18,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n/struc.xyz' 2025-08-31T10:10:18,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23/struc.xyz' 2025-08-31T10:10:18,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n/struc.xyz' 2025-08-31T10:10:18,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24/struc.xyz' 2025-08-31T10:10:18,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n/struc.xyz' 2025-08-31T10:10:18,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25/struc.xyz' 2025-08-31T10:10:18,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n/struc.xyz' 2025-08-31T10:10:18,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8/struc.xyz' 2025-08-31T10:10:18,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n/struc.xyz' 2025-08-31T10:10:18,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9/struc.xyz' 2025-08-31T10:10:18,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n/struc.xyz' 2025-08-31T10:10:18,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c/struc.xyz' 2025-08-31T10:10:18,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-/struc.xyz' 2025-08-31T10:10:18,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl/struc.xyz' 2025-08-31T10:10:18,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-/struc.xyz' 2025-08-31T10:10:18,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f/struc.xyz' 2025-08-31T10:10:18,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-/struc.xyz' 2025-08-31T10:10:18,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o/struc.xyz' 2025-08-31T10:10:18,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-/struc.xyz' 2025-08-31T10:10:18,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p/struc.xyz' 2025-08-31T10:10:18,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-/struc.xyz' 2025-08-31T10:10:18,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s/struc.xyz' 2025-08-31T10:10:18,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-/struc.xyz' 2025-08-31T10:10:18,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si/struc.xyz' 2025-08-31T10:10:18,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-/struc.xyz' 2025-08-31T10:10:18,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11/struc.xyz' 2025-08-31T10:10:18,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12/struc.xyz' 2025-08-31T10:10:18,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13/struc.xyz' 2025-08-31T10:10:18,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137/struc.xyz' 2025-08-31T10:10:18,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14/struc.xyz' 2025-08-31T10:10:18,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18/struc.xyz' 2025-08-31T10:10:18,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19/struc.xyz' 2025-08-31T10:10:18,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20/struc.xyz' 2025-08-31T10:10:18,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22/struc.xyz' 2025-08-31T10:10:18,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25/struc.xyz' 2025-08-31T10:10:18,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26/struc.xyz' 2025-08-31T10:10:18,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30/struc.xyz' 2025-08-31T10:10:18,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34/struc.xyz' 2025-08-31T10:10:18,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37/struc.xyz' 2025-08-31T10:10:18,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43/struc.xyz' 2025-08-31T10:10:18,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44/struc.xyz' 2025-08-31T10:10:18,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45/struc.xyz' 2025-08-31T10:10:18,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48/struc.xyz' 2025-08-31T10:10:18,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51/struc.xyz' 2025-08-31T10:10:18,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8/struc.xyz' 2025-08-31T10:10:18,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59/struc.xyz' 2025-08-31T10:10:18,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60/struc.xyz' 2025-08-31T10:10:18,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61/struc.xyz' 2025-08-31T10:10:18,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62/struc.xyz' 2025-08-31T10:10:18,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63/struc.xyz' 2025-08-31T10:10:18,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64/struc.xyz' 2025-08-31T10:10:18,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65/struc.xyz' 2025-08-31T10:10:18,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66/struc.xyz' 2025-08-31T10:10:18,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67/struc.xyz' 2025-08-31T10:10:18,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68/struc.xyz' 2025-08-31T10:10:18,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70/struc.xyz' 2025-08-31T10:10:18,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71/struc.xyz' 2025-08-31T10:10:18,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72/struc.xyz' 2025-08-31T10:10:18,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73/struc.xyz' 2025-08-31T10:10:18,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74/struc.xyz' 2025-08-31T10:10:18,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75/struc.xyz' 2025-08-31T10:10:18,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76/struc.xyz' 2025-08-31T10:10:18,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77/struc.xyz' 2025-08-31T10:10:18,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78/struc.xyz' 2025-08-31T10:10:18,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79/struc.xyz' 2025-08-31T10:10:18,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80/struc.xyz' 2025-08-31T10:10:18,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65/struc.xyz' 2025-08-31T10:10:18,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al/struc.xyz' 2025-08-31T10:10:18,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+/struc.xyz' 2025-08-31T10:10:18,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b/struc.xyz' 2025-08-31T10:10:18,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+/struc.xyz' 2025-08-31T10:10:18,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be/struc.xyz' 2025-08-31T10:10:18,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+/struc.xyz' 2025-08-31T10:10:18,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c/struc.xyz' 2025-08-31T10:10:18,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+/struc.xyz' 2025-08-31T10:10:18,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl/struc.xyz' 2025-08-31T10:10:18,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+/struc.xyz' 2025-08-31T10:10:18,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f/struc.xyz' 2025-08-31T10:10:18,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+/struc.xyz' 2025-08-31T10:10:18,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h/struc.xyz' 2025-08-31T10:10:18,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li/struc.xyz' 2025-08-31T10:10:18,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+/struc.xyz' 2025-08-31T10:10:18,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg/struc.xyz' 2025-08-31T10:10:18,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+/struc.xyz' 2025-08-31T10:10:18,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n/struc.xyz' 2025-08-31T10:10:18,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+/struc.xyz' 2025-08-31T10:10:18,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na/struc.xyz' 2025-08-31T10:10:18,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+/struc.xyz' 2025-08-31T10:10:18,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o/struc.xyz' 2025-08-31T10:10:18,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+/struc.xyz' 2025-08-31T10:10:18,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p/struc.xyz' 2025-08-31T10:10:18,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+/struc.xyz' 2025-08-31T10:10:18,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s/struc.xyz' 2025-08-31T10:10:18,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+/struc.xyz' 2025-08-31T10:10:18,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si/struc.xyz' 2025-08-31T10:10:18,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+/struc.xyz' 2025-08-31T10:10:18,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1/struc.xyz' 2025-08-31T10:10:18,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100/struc.xyz' 2025-08-31T10:10:18,351 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104/struc.xyz' 2025-08-31T10:10:18,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106/struc.xyz' 2025-08-31T10:10:18,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11/struc.xyz' 2025-08-31T10:10:18,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113/struc.xyz' 2025-08-31T10:10:18,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117/struc.xyz' 2025-08-31T10:10:18,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118/struc.xyz' 2025-08-31T10:10:18,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121/struc.xyz' 2025-08-31T10:10:18,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126/struc.xyz' 2025-08-31T10:10:18,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128/struc.xyz' 2025-08-31T10:10:18,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13/struc.xyz' 2025-08-31T10:10:18,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14/struc.xyz' 2025-08-31T10:10:18,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18/struc.xyz' 2025-08-31T10:10:18,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21/struc.xyz' 2025-08-31T10:10:18,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22/struc.xyz' 2025-08-31T10:10:18,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23/struc.xyz' 2025-08-31T10:10:18,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24/struc.xyz' 2025-08-31T10:10:18,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25/struc.xyz' 2025-08-31T10:10:18,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26/struc.xyz' 2025-08-31T10:10:18,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30/struc.xyz' 2025-08-31T10:10:18,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32/struc.xyz' 2025-08-31T10:10:18,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33/struc.xyz' 2025-08-31T10:10:18,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34/struc.xyz' 2025-08-31T10:10:18,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39/struc.xyz' 2025-08-31T10:10:18,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40/struc.xyz' 2025-08-31T10:10:18,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45/struc.xyz' 2025-08-31T10:10:18,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47/struc.xyz' 2025-08-31T10:10:18,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51/struc.xyz' 2025-08-31T10:10:18,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52/struc.xyz' 2025-08-31T10:10:18,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56/struc.xyz' 2025-08-31T10:10:18,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57/struc.xyz' 2025-08-31T10:10:18,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58/struc.xyz' 2025-08-31T10:10:18,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59/struc.xyz' 2025-08-31T10:10:18,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6/struc.xyz' 2025-08-31T10:10:18,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60/struc.xyz' 2025-08-31T10:10:18,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61/struc.xyz' 2025-08-31T10:10:18,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62/struc.xyz' 2025-08-31T10:10:18,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66/struc.xyz' 2025-08-31T10:10:18,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67/struc.xyz' 2025-08-31T10:10:18,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68/struc.xyz' 2025-08-31T10:10:18,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73/struc.xyz' 2025-08-31T10:10:18,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8/struc.xyz' 2025-08-31T10:10:18,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82/struc.xyz' 2025-08-31T10:10:18,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88/struc.xyz' 2025-08-31T10:10:18,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94/struc.xyz' 2025-08-31T10:10:18,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97/struc.xyz' 2025-08-31T10:10:18,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA/struc.xyz' 2025-08-31T10:10:18,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz' 2025-08-31T10:10:18,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB/struc.xyz' 2025-08-31T10:10:18,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA/struc.xyz' 2025-08-31T10:10:18,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz' 2025-08-31T10:10:18,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB/struc.xyz' 2025-08-31T10:10:18,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz' 2025-08-31T10:10:18,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz' 2025-08-31T10:10:18,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz' 2025-08-31T10:10:18,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz' 2025-08-31T10:10:18,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz' 2025-08-31T10:10:18,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz' 2025-08-31T10:10:18,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz' 2025-08-31T10:10:18,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz' 2025-08-31T10:10:18,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz' 2025-08-31T10:10:18,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz' 2025-08-31T10:10:18,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz' 2025-08-31T10:10:18,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz' 2025-08-31T10:10:18,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz' 2025-08-31T10:10:18,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz' 2025-08-31T10:10:18,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz' 2025-08-31T10:10:18,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz' 2025-08-31T10:10:18,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz' 2025-08-31T10:10:18,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz' 2025-08-31T10:10:18,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz' 2025-08-31T10:10:18,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz' 2025-08-31T10:10:18,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz' 2025-08-31T10:10:18,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz' 2025-08-31T10:10:18,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz' 2025-08-31T10:10:18,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz' 2025-08-31T10:10:18,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz' 2025-08-31T10:10:18,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz' 2025-08-31T10:10:18,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz' 2025-08-31T10:10:18,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz' 2025-08-31T10:10:18,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz' 2025-08-31T10:10:18,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz' 2025-08-31T10:10:18,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz' 2025-08-31T10:10:18,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz' 2025-08-31T10:10:18,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz' 2025-08-31T10:10:18,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz' 2025-08-31T10:10:18,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz' 2025-08-31T10:10:18,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz' 2025-08-31T10:10:18,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr/struc.xyz' 2025-08-31T10:10:18,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz' 2025-08-31T10:10:18,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe/struc.xyz' 2025-08-31T10:10:18,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH/struc.xyz' 2025-08-31T10:10:18,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3/struc.xyz' 2025-08-31T10:10:18,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz' 2025-08-31T10:10:18,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz' 2025-08-31T10:10:18,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH/struc.xyz' 2025-08-31T10:10:18,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr/struc.xyz' 2025-08-31T10:10:18,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI/struc.xyz' 2025-08-31T10:10:18,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr/struc.xyz' 2025-08-31T10:10:18,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH/struc.xyz' 2025-08-31T10:10:18,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl/struc.xyz' 2025-08-31T10:10:18,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI/struc.xyz' 2025-08-31T10:10:18,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH/struc.xyz' 2025-08-31T10:10:18,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe/struc.xyz' 2025-08-31T10:10:18,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH/struc.xyz' 2025-08-31T10:10:18,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3/struc.xyz' 2025-08-31T10:10:18,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2/struc.xyz' 2025-08-31T10:10:18,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3/struc.xyz' 2025-08-31T10:10:18,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH/struc.xyz' 2025-08-31T10:10:18,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr/struc.xyz' 2025-08-31T10:10:18,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe/struc.xyz' 2025-08-31T10:10:18,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI/struc.xyz' 2025-08-31T10:10:18,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH/struc.xyz' 2025-08-31T10:10:18,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe/struc.xyz' 2025-08-31T10:10:18,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH/struc.xyz' 2025-08-31T10:10:18,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3/struc.xyz' 2025-08-31T10:10:18,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2/struc.xyz' 2025-08-31T10:10:18,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3/struc.xyz' 2025-08-31T10:10:18,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH/struc.xyz' 2025-08-31T10:10:18,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr/struc.xyz' 2025-08-31T10:10:18,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS/struc.xyz' 2025-08-31T10:10:18,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH/struc.xyz' 2025-08-31T10:10:18,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI/struc.xyz' 2025-08-31T10:10:18,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr/struc.xyz' 2025-08-31T10:10:18,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl/struc.xyz' 2025-08-31T10:10:18,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS/struc.xyz' 2025-08-31T10:10:18,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS/struc.xyz' 2025-08-31T10:10:18,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr/struc.xyz' 2025-08-31T10:10:18,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI/struc.xyz' 2025-08-31T10:10:18,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3/struc.xyz' 2025-08-31T10:10:18,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI/struc.xyz' 2025-08-31T10:10:18,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr/struc.xyz' 2025-08-31T10:10:18,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl/struc.xyz' 2025-08-31T10:10:18,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS/struc.xyz' 2025-08-31T10:10:18,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS/struc.xyz' 2025-08-31T10:10:18,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr/struc.xyz' 2025-08-31T10:10:18,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI/struc.xyz' 2025-08-31T10:10:18,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS/struc.xyz' 2025-08-31T10:10:18,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2/struc.xyz' 2025-08-31T10:10:18,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3/struc.xyz' 2025-08-31T10:10:18,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH/struc.xyz' 2025-08-31T10:10:18,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI/struc.xyz' 2025-08-31T10:10:18,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr/struc.xyz' 2025-08-31T10:10:18,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl/struc.xyz' 2025-08-31T10:10:18,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS/struc.xyz' 2025-08-31T10:10:18,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS/struc.xyz' 2025-08-31T10:10:18,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr/struc.xyz' 2025-08-31T10:10:18,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI/struc.xyz' 2025-08-31T10:10:18,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr/struc.xyz' 2025-08-31T10:10:18,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI/struc.xyz' 2025-08-31T10:10:18,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr/struc.xyz' 2025-08-31T10:10:18,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3/struc.xyz' 2025-08-31T10:10:18,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2/struc.xyz' 2025-08-31T10:10:18,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz' 2025-08-31T10:10:18,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz' 2025-08-31T10:10:18,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz' 2025-08-31T10:10:18,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz' 2025-08-31T10:10:18,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi/struc.xyz' 2025-08-31T10:10:18,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz' 2025-08-31T10:10:18,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o/struc.xyz' 2025-08-31T10:10:18,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s/struc.xyz' 2025-08-31T10:10:18,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr/struc.xyz' 2025-08-31T10:10:18,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl/struc.xyz' 2025-08-31T10:10:18,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi/struc.xyz' 2025-08-31T10:10:18,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3/struc.xyz' 2025-08-31T10:10:18,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4/struc.xyz' 2025-08-31T10:10:18,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2/struc.xyz' 2025-08-31T10:10:18,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz' 2025-08-31T10:10:18,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz' 2025-08-31T10:10:18,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz' 2025-08-31T10:10:18,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz' 2025-08-31T10:10:18,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz' 2025-08-31T10:10:18,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz' 2025-08-31T10:10:18,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3/struc.xyz' 2025-08-31T10:10:18,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2/struc.xyz' 2025-08-31T10:10:18,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz' 2025-08-31T10:10:18,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz' 2025-08-31T10:10:18,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz' 2025-08-31T10:10:18,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz' 2025-08-31T10:10:18,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz' 2025-08-31T10:10:18,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz' 2025-08-31T10:10:18,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2/struc.xyz' 2025-08-31T10:10:18,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2/struc.xyz' 2025-08-31T10:10:18,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz' 2025-08-31T10:10:18,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz' 2025-08-31T10:10:18,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz' 2025-08-31T10:10:18,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz' 2025-08-31T10:10:18,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi/struc.xyz' 2025-08-31T10:10:18,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz' 2025-08-31T10:10:18,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4/struc.xyz' 2025-08-31T10:10:18,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2/struc.xyz' 2025-08-31T10:10:18,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br/struc.xyz' 2025-08-31T10:10:18,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2/struc.xyz' 2025-08-31T10:10:18,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl/struc.xyz' 2025-08-31T10:10:18,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2/struc.xyz' 2025-08-31T10:10:18,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz' 2025-08-31T10:10:18,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3/struc.xyz' 2025-08-31T10:10:18,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2/struc.xyz' 2025-08-31T10:10:18,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2/struc.xyz' 2025-08-31T10:10:18,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4/struc.xyz' 2025-08-31T10:10:18,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz' 2025-08-31T10:10:18,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3/struc.xyz' 2025-08-31T10:10:18,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2/struc.xyz' 2025-08-31T10:10:18,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz' 2025-08-31T10:10:18,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2/struc.xyz' 2025-08-31T10:10:18,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh/struc.xyz' 2025-08-31T10:10:18,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh/struc.xyz' 2025-08-31T10:10:18,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz' 2025-08-31T10:10:18,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3/struc.xyz' 2025-08-31T10:10:18,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2/struc.xyz' 2025-08-31T10:10:18,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme/struc.xyz' 2025-08-31T10:10:18,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1/struc.xyz' 2025-08-31T10:10:18,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2/struc.xyz' 2025-08-31T10:10:18,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3/struc.xyz' 2025-08-31T10:10:18,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1/struc.xyz' 2025-08-31T10:10:18,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2/struc.xyz' 2025-08-31T10:10:18,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3/struc.xyz' 2025-08-31T10:10:18,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4/struc.xyz' 2025-08-31T10:10:18,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1/struc.xyz' 2025-08-31T10:10:18,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2/struc.xyz' 2025-08-31T10:10:18,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3/struc.xyz' 2025-08-31T10:10:18,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1/struc.xyz' 2025-08-31T10:10:18,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2/struc.xyz' 2025-08-31T10:10:18,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1/struc.xyz' 2025-08-31T10:10:18,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2/struc.xyz' 2025-08-31T10:10:18,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3/struc.xyz' 2025-08-31T10:10:18,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1/struc.xyz' 2025-08-31T10:10:18,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2/struc.xyz' 2025-08-31T10:10:18,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1/struc.xyz' 2025-08-31T10:10:18,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2/struc.xyz' 2025-08-31T10:10:18,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1/struc.xyz' 2025-08-31T10:10:18,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2/struc.xyz' 2025-08-31T10:10:18,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1/struc.xyz' 2025-08-31T10:10:18,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2/struc.xyz' 2025-08-31T10:10:18,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3/struc.xyz' 2025-08-31T10:10:18,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4/struc.xyz' 2025-08-31T10:10:18,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1/struc.xyz' 2025-08-31T10:10:18,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2/struc.xyz' 2025-08-31T10:10:18,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f/struc.xyz' 2025-08-31T10:10:18,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l/struc.xyz' 2025-08-31T10:10:18,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f/struc.xyz' 2025-08-31T10:10:18,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l/struc.xyz' 2025-08-31T10:10:18,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant/struc.xyz' 2025-08-31T10:10:18,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer/struc.xyz' 2025-08-31T10:10:18,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2/struc.xyz' 2025-08-31T10:10:18,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1/struc.xyz' 2025-08-31T10:10:18,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2/struc.xyz' 2025-08-31T10:10:18,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22/struc.xyz' 2025-08-31T10:10:18,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene/struc.xyz' 2025-08-31T10:10:18,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1/struc.xyz' 2025-08-31T10:10:18,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2/struc.xyz' 2025-08-31T10:10:18,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008/struc.xyz' 2025-08-31T10:10:18,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A/struc.xyz' 2025-08-31T10:10:18,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B/struc.xyz' 2025-08-31T10:10:18,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144/struc.xyz' 2025-08-31T10:10:18,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A/struc.xyz' 2025-08-31T10:10:18,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B/struc.xyz' 2025-08-31T10:10:18,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147/struc.xyz' 2025-08-31T10:10:18,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A/struc.xyz' 2025-08-31T10:10:18,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B/struc.xyz' 2025-08-31T10:10:18,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148/struc.xyz' 2025-08-31T10:10:18,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A/struc.xyz' 2025-08-31T10:10:18,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B/struc.xyz' 2025-08-31T10:10:18,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150/struc.xyz' 2025-08-31T10:10:18,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A/struc.xyz' 2025-08-31T10:10:18,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B/struc.xyz' 2025-08-31T10:10:18,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152/struc.xyz' 2025-08-31T10:10:18,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A/struc.xyz' 2025-08-31T10:10:18,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B/struc.xyz' 2025-08-31T10:10:18,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187/struc.xyz' 2025-08-31T10:10:18,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A/struc.xyz' 2025-08-31T10:10:18,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B/struc.xyz' 2025-08-31T10:10:18,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202/struc.xyz' 2025-08-31T10:10:18,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A/struc.xyz' 2025-08-31T10:10:18,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B/struc.xyz' 2025-08-31T10:10:18,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212/struc.xyz' 2025-08-31T10:10:18,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A/struc.xyz' 2025-08-31T10:10:18,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B/struc.xyz' 2025-08-31T10:10:18,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213/struc.xyz' 2025-08-31T10:10:18,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A/struc.xyz' 2025-08-31T10:10:18,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B/struc.xyz' 2025-08-31T10:10:18,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214/struc.xyz' 2025-08-31T10:10:18,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A/struc.xyz' 2025-08-31T10:10:18,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B/struc.xyz' 2025-08-31T10:10:18,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227/struc.xyz' 2025-08-31T10:10:18,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A/struc.xyz' 2025-08-31T10:10:18,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B/struc.xyz' 2025-08-31T10:10:18,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228/struc.xyz' 2025-08-31T10:10:18,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A/struc.xyz' 2025-08-31T10:10:18,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B/struc.xyz' 2025-08-31T10:10:18,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229/struc.xyz' 2025-08-31T10:10:18,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A/struc.xyz' 2025-08-31T10:10:18,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B/struc.xyz' 2025-08-31T10:10:18,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230/struc.xyz' 2025-08-31T10:10:18,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A/struc.xyz' 2025-08-31T10:10:18,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B/struc.xyz' 2025-08-31T10:10:18,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231/struc.xyz' 2025-08-31T10:10:18,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A/struc.xyz' 2025-08-31T10:10:18,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B/struc.xyz' 2025-08-31T10:10:18,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene/struc.xyz' 2025-08-31T10:10:18,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz' 2025-08-31T10:10:18,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene/struc.xyz' 2025-08-31T10:10:18,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz' 2025-08-31T10:10:18,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene/struc.xyz' 2025-08-31T10:10:18,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS/struc.xyz' 2025-08-31T10:10:18,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz' 2025-08-31T10:10:18,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz' 2025-08-31T10:10:18,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz' 2025-08-31T10:10:18,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz' 2025-08-31T10:10:18,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether/struc.xyz' 2025-08-31T10:10:18,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS/struc.xyz' 2025-08-31T10:10:18,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O/struc.xyz' 2025-08-31T10:10:18,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS/struc.xyz' 2025-08-31T10:10:18,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S/struc.xyz' 2025-08-31T10:10:18,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS/struc.xyz' 2025-08-31T10:10:18,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene/struc.xyz' 2025-08-31T10:10:18,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz' 2025-08-31T10:10:18,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine/struc.xyz' 2025-08-31T10:10:18,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz' 2025-08-31T10:10:18,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3/struc.xyz' 2025-08-31T10:10:18,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS/struc.xyz' 2025-08-31T10:10:18,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3/struc.xyz' 2025-08-31T10:10:18,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS/struc.xyz' 2025-08-31T10:10:18,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3/struc.xyz' 2025-08-31T10:10:18,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS/struc.xyz' 2025-08-31T10:10:18,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph/struc.xyz' 2025-08-31T10:10:18,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS/struc.xyz' 2025-08-31T10:10:18,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3/struc.xyz' 2025-08-31T10:10:18,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS/struc.xyz' 2025-08-31T10:10:18,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3/struc.xyz' 2025-08-31T10:10:18,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS/struc.xyz' 2025-08-31T10:10:18,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene/struc.xyz' 2025-08-31T10:10:18,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz' 2025-08-31T10:10:18,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2/struc.xyz' 2025-08-31T10:10:18,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS/struc.xyz' 2025-08-31T10:10:18,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene/struc.xyz' 2025-08-31T10:10:18,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS/struc.xyz' 2025-08-31T10:10:18,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz' 2025-08-31T10:10:18,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz' 2025-08-31T10:10:18,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene/struc.xyz' 2025-08-31T10:10:18,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz' 2025-08-31T10:10:18,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether/struc.xyz' 2025-08-31T10:10:18,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS/struc.xyz' 2025-08-31T10:10:18,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene/struc.xyz' 2025-08-31T10:10:18,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz' 2025-08-31T10:10:18,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz' 2025-08-31T10:10:18,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz' 2025-08-31T10:10:18,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1/struc.xyz' 2025-08-31T10:10:18,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10/struc.xyz' 2025-08-31T10:10:18,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11/struc.xyz' 2025-08-31T10:10:18,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12/struc.xyz' 2025-08-31T10:10:18,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13/struc.xyz' 2025-08-31T10:10:18,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14/struc.xyz' 2025-08-31T10:10:18,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15/struc.xyz' 2025-08-31T10:10:18,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16/struc.xyz' 2025-08-31T10:10:18,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17/struc.xyz' 2025-08-31T10:10:18,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18/struc.xyz' 2025-08-31T10:10:18,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19/struc.xyz' 2025-08-31T10:10:18,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20/struc.xyz' 2025-08-31T10:10:18,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21/struc.xyz' 2025-08-31T10:10:18,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22/struc.xyz' 2025-08-31T10:10:18,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23/struc.xyz' 2025-08-31T10:10:18,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24/struc.xyz' 2025-08-31T10:10:18,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25/struc.xyz' 2025-08-31T10:10:18,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26/struc.xyz' 2025-08-31T10:10:18,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27/struc.xyz' 2025-08-31T10:10:18,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28/struc.xyz' 2025-08-31T10:10:18,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29/struc.xyz' 2025-08-31T10:10:18,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3/struc.xyz' 2025-08-31T10:10:18,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30/struc.xyz' 2025-08-31T10:10:18,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31/struc.xyz' 2025-08-31T10:10:18,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32/struc.xyz' 2025-08-31T10:10:18,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33/struc.xyz' 2025-08-31T10:10:18,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34/struc.xyz' 2025-08-31T10:10:18,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4/struc.xyz' 2025-08-31T10:10:18,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5/struc.xyz' 2025-08-31T10:10:18,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7/struc.xyz' 2025-08-31T10:10:19,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8/struc.xyz' 2025-08-31T10:10:19,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9/struc.xyz' 2025-08-31T10:10:19,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1/struc.xyz' 2025-08-31T10:10:19,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10/struc.xyz' 2025-08-31T10:10:19,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11/struc.xyz' 2025-08-31T10:10:19,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12/struc.xyz' 2025-08-31T10:10:19,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13/struc.xyz' 2025-08-31T10:10:19,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14/struc.xyz' 2025-08-31T10:10:19,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15/struc.xyz' 2025-08-31T10:10:19,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16/struc.xyz' 2025-08-31T10:10:19,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17/struc.xyz' 2025-08-31T10:10:19,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18/struc.xyz' 2025-08-31T10:10:19,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2/struc.xyz' 2025-08-31T10:10:19,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20/struc.xyz' 2025-08-31T10:10:19,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21/struc.xyz' 2025-08-31T10:10:19,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23/struc.xyz' 2025-08-31T10:10:19,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24/struc.xyz' 2025-08-31T10:10:19,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25/struc.xyz' 2025-08-31T10:10:19,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26/struc.xyz' 2025-08-31T10:10:19,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27/struc.xyz' 2025-08-31T10:10:19,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28/struc.xyz' 2025-08-31T10:10:19,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29/struc.xyz' 2025-08-31T10:10:19,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3/struc.xyz' 2025-08-31T10:10:19,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30/struc.xyz' 2025-08-31T10:10:19,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31/struc.xyz' 2025-08-31T10:10:19,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32/struc.xyz' 2025-08-31T10:10:19,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33/struc.xyz' 2025-08-31T10:10:19,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34/struc.xyz' 2025-08-31T10:10:19,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4/struc.xyz' 2025-08-31T10:10:19,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6/struc.xyz' 2025-08-31T10:10:19,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7/struc.xyz' 2025-08-31T10:10:19,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8/struc.xyz' 2025-08-31T10:10:19,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9/struc.xyz' 2025-08-31T10:10:19,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e/struc.xyz' 2025-08-31T10:10:19,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p/struc.xyz' 2025-08-31T10:10:19,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e/struc.xyz' 2025-08-31T10:10:19,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p/struc.xyz' 2025-08-31T10:10:19,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e/struc.xyz' 2025-08-31T10:10:19,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p/struc.xyz' 2025-08-31T10:10:19,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e/struc.xyz' 2025-08-31T10:10:19,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p/struc.xyz' 2025-08-31T10:10:19,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e/struc.xyz' 2025-08-31T10:10:19,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p/struc.xyz' 2025-08-31T10:10:19,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e/struc.xyz' 2025-08-31T10:10:19,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p/struc.xyz' 2025-08-31T10:10:19,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e/struc.xyz' 2025-08-31T10:10:19,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p/struc.xyz' 2025-08-31T10:10:19,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e/struc.xyz' 2025-08-31T10:10:19,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p/struc.xyz' 2025-08-31T10:10:19,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e/struc.xyz' 2025-08-31T10:10:19,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p/struc.xyz' 2025-08-31T10:10:19,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e/struc.xyz' 2025-08-31T10:10:19,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p/struc.xyz' 2025-08-31T10:10:19,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e/struc.xyz' 2025-08-31T10:10:19,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p/struc.xyz' 2025-08-31T10:10:19,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e/struc.xyz' 2025-08-31T10:10:19,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p/struc.xyz' 2025-08-31T10:10:19,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e/struc.xyz' 2025-08-31T10:10:19,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p/struc.xyz' 2025-08-31T10:10:19,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e/struc.xyz' 2025-08-31T10:10:19,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p/struc.xyz' 2025-08-31T10:10:19,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e/struc.xyz' 2025-08-31T10:10:19,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p/struc.xyz' 2025-08-31T10:10:19,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e/struc.xyz' 2025-08-31T10:10:19,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p/struc.xyz' 2025-08-31T10:10:19,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e/struc.xyz' 2025-08-31T10:10:19,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p/struc.xyz' 2025-08-31T10:10:19,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e/struc.xyz' 2025-08-31T10:10:19,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p/struc.xyz' 2025-08-31T10:10:19,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e/struc.xyz' 2025-08-31T10:10:19,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p/struc.xyz' 2025-08-31T10:10:19,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e/struc.xyz' 2025-08-31T10:10:19,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p/struc.xyz' 2025-08-31T10:10:19,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e/struc.xyz' 2025-08-31T10:10:19,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p/struc.xyz' 2025-08-31T10:10:19,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e/struc.xyz' 2025-08-31T10:10:19,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p/struc.xyz' 2025-08-31T10:10:19,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e/struc.xyz' 2025-08-31T10:10:19,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p/struc.xyz' 2025-08-31T10:10:19,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e/struc.xyz' 2025-08-31T10:10:19,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p/struc.xyz' 2025-08-31T10:10:19,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01/struc.xyz' 2025-08-31T10:10:19,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02/struc.xyz' 2025-08-31T10:10:19,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03/struc.xyz' 2025-08-31T10:10:19,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04/struc.xyz' 2025-08-31T10:10:19,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05/struc.xyz' 2025-08-31T10:10:19,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06/struc.xyz' 2025-08-31T10:10:19,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07/struc.xyz' 2025-08-31T10:10:19,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08/struc.xyz' 2025-08-31T10:10:19,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09/struc.xyz' 2025-08-31T10:10:19,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10/struc.xyz' 2025-08-31T10:10:19,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11/struc.xyz' 2025-08-31T10:10:19,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12/struc.xyz' 2025-08-31T10:10:19,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13/struc.xyz' 2025-08-31T10:10:19,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14/struc.xyz' 2025-08-31T10:10:19,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15/struc.xyz' 2025-08-31T10:10:19,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16/struc.xyz' 2025-08-31T10:10:19,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17/struc.xyz' 2025-08-31T10:10:19,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18/struc.xyz' 2025-08-31T10:10:19,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19/struc.xyz' 2025-08-31T10:10:19,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20/struc.xyz' 2025-08-31T10:10:19,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21/struc.xyz' 2025-08-31T10:10:19,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22/struc.xyz' 2025-08-31T10:10:19,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23/struc.xyz' 2025-08-31T10:10:19,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24/struc.xyz' 2025-08-31T10:10:19,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25/struc.xyz' 2025-08-31T10:10:19,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26/struc.xyz' 2025-08-31T10:10:19,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27/struc.xyz' 2025-08-31T10:10:19,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28/struc.xyz' 2025-08-31T10:10:19,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29/struc.xyz' 2025-08-31T10:10:19,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30/struc.xyz' 2025-08-31T10:10:19,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31/struc.xyz' 2025-08-31T10:10:19,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32/struc.xyz' 2025-08-31T10:10:19,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33/struc.xyz' 2025-08-31T10:10:19,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34/struc.xyz' 2025-08-31T10:10:19,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35/struc.xyz' 2025-08-31T10:10:19,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36/struc.xyz' 2025-08-31T10:10:19,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37/struc.xyz' 2025-08-31T10:10:19,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38/struc.xyz' 2025-08-31T10:10:19,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39/struc.xyz' 2025-08-31T10:10:19,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40/struc.xyz' 2025-08-31T10:10:19,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41/struc.xyz' 2025-08-31T10:10:19,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42/struc.xyz' 2025-08-31T10:10:19,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43/struc.xyz' 2025-08-31T10:10:19,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3/struc.xyz' 2025-08-31T10:10:19,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3/struc.xyz' 2025-08-31T10:10:19,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2/struc.xyz' 2025-08-31T10:10:19,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4/struc.xyz' 2025-08-31T10:10:19,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2/struc.xyz' 2025-08-31T10:10:19,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2/struc.xyz' 2025-08-31T10:10:19,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2/struc.xyz' 2025-08-31T10:10:19,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH/struc.xyz' 2025-08-31T10:10:19,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2/struc.xyz' 2025-08-31T10:10:19,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2/struc.xyz' 2025-08-31T10:10:19,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH/struc.xyz' 2025-08-31T10:10:19,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2/struc.xyz' 2025-08-31T10:10:19,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2/struc.xyz' 2025-08-31T10:10:19,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2/struc.xyz' 2025-08-31T10:10:19,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4/struc.xyz' 2025-08-31T10:10:19,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1/struc.xyz' 2025-08-31T10:10:19,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10/struc.xyz' 2025-08-31T10:10:19,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11/struc.xyz' 2025-08-31T10:10:19,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12/struc.xyz' 2025-08-31T10:10:19,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13/struc.xyz' 2025-08-31T10:10:19,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14/struc.xyz' 2025-08-31T10:10:19,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15/struc.xyz' 2025-08-31T10:10:19,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16/struc.xyz' 2025-08-31T10:10:19,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17/struc.xyz' 2025-08-31T10:10:19,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18/struc.xyz' 2025-08-31T10:10:19,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19/struc.xyz' 2025-08-31T10:10:19,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2/struc.xyz' 2025-08-31T10:10:19,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20/struc.xyz' 2025-08-31T10:10:19,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21/struc.xyz' 2025-08-31T10:10:19,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22/struc.xyz' 2025-08-31T10:10:19,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23/struc.xyz' 2025-08-31T10:10:19,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24/struc.xyz' 2025-08-31T10:10:19,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25/struc.xyz' 2025-08-31T10:10:19,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26/struc.xyz' 2025-08-31T10:10:19,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27/struc.xyz' 2025-08-31T10:10:19,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28/struc.xyz' 2025-08-31T10:10:19,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29/struc.xyz' 2025-08-31T10:10:19,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3/struc.xyz' 2025-08-31T10:10:19,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30/struc.xyz' 2025-08-31T10:10:19,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31/struc.xyz' 2025-08-31T10:10:19,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32/struc.xyz' 2025-08-31T10:10:19,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33/struc.xyz' 2025-08-31T10:10:19,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34/struc.xyz' 2025-08-31T10:10:19,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35/struc.xyz' 2025-08-31T10:10:19,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36/struc.xyz' 2025-08-31T10:10:19,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37/struc.xyz' 2025-08-31T10:10:19,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38/struc.xyz' 2025-08-31T10:10:19,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39/struc.xyz' 2025-08-31T10:10:19,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4/struc.xyz' 2025-08-31T10:10:19,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40/struc.xyz' 2025-08-31T10:10:19,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41/struc.xyz' 2025-08-31T10:10:19,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42/struc.xyz' 2025-08-31T10:10:19,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43/struc.xyz' 2025-08-31T10:10:19,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44/struc.xyz' 2025-08-31T10:10:19,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45/struc.xyz' 2025-08-31T10:10:19,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46/struc.xyz' 2025-08-31T10:10:19,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47/struc.xyz' 2025-08-31T10:10:19,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48/struc.xyz' 2025-08-31T10:10:19,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49/struc.xyz' 2025-08-31T10:10:19,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5/struc.xyz' 2025-08-31T10:10:19,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50/struc.xyz' 2025-08-31T10:10:19,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51/struc.xyz' 2025-08-31T10:10:19,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52/struc.xyz' 2025-08-31T10:10:19,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6/struc.xyz' 2025-08-31T10:10:19,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7/struc.xyz' 2025-08-31T10:10:19,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8/struc.xyz' 2025-08-31T10:10:19,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9/struc.xyz' 2025-08-31T10:10:19,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3/struc.xyz' 2025-08-31T10:10:19,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz' 2025-08-31T10:10:19,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3/struc.xyz' 2025-08-31T10:10:19,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3/struc.xyz' 2025-08-31T10:10:19,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3/struc.xyz' 2025-08-31T10:10:19,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3/struc.xyz' 2025-08-31T10:10:19,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2/struc.xyz' 2025-08-31T10:10:19,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl/struc.xyz' 2025-08-31T10:10:19,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F/struc.xyz' 2025-08-31T10:10:19,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H/struc.xyz' 2025-08-31T10:10:19,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3/struc.xyz' 2025-08-31T10:10:19,351 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3/struc.xyz' 2025-08-31T10:10:19,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3/struc.xyz' 2025-08-31T10:10:19,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz/struc.xyz' 2025-08-31T10:10:19,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut/struc.xyz' 2025-08-31T10:10:19,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch/struc.xyz' 2025-08-31T10:10:19,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2/struc.xyz' 2025-08-31T10:10:19,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh/struc.xyz' 2025-08-31T10:10:19,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2/struc.xyz' 2025-08-31T10:10:19,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3/struc.xyz' 2025-08-31T10:10:19,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3/struc.xyz' 2025-08-31T10:10:19,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A/struc.xyz' 2025-08-31T10:10:19,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap/struc.xyz' 2025-08-31T10:10:19,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C/struc.xyz' 2025-08-31T10:10:19,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp/struc.xyz' 2025-08-31T10:10:19,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G/struc.xyz' 2025-08-31T10:10:19,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp/struc.xyz' 2025-08-31T10:10:19,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T/struc.xyz' 2025-08-31T10:10:19,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp/struc.xyz' 2025-08-31T10:10:19,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass/struc.xyz' 2025-08-31T10:10:19,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp/struc.xyz' 2025-08-31T10:10:19,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6/struc.xyz' 2025-08-31T10:10:19,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p/struc.xyz' 2025-08-31T10:10:19,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2/struc.xyz' 2025-08-31T10:10:19,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p/struc.xyz' 2025-08-31T10:10:19,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s/struc.xyz' 2025-08-31T10:10:19,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp/struc.xyz' 2025-08-31T10:10:19,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh/struc.xyz' 2025-08-31T10:10:19,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp/struc.xyz' 2025-08-31T10:10:19,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys/struc.xyz' 2025-08-31T10:10:19,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp/struc.xyz' 2025-08-31T10:10:19,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol/struc.xyz' 2025-08-31T10:10:19,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp/struc.xyz' 2025-08-31T10:10:19,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly/struc.xyz' 2025-08-31T10:10:19,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp/struc.xyz' 2025-08-31T10:10:19,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2/struc.xyz' 2025-08-31T10:10:19,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o/struc.xyz' 2025-08-31T10:10:19,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op/struc.xyz' 2025-08-31T10:10:19,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p/struc.xyz' 2025-08-31T10:10:19,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s/struc.xyz' 2025-08-31T10:10:19,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp/struc.xyz' 2025-08-31T10:10:19,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl/struc.xyz' 2025-08-31T10:10:19,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp/struc.xyz' 2025-08-31T10:10:19,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3/struc.xyz' 2025-08-31T10:10:19,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p/struc.xyz' 2025-08-31T10:10:19,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2/struc.xyz' 2025-08-31T10:10:19,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p/struc.xyz' 2025-08-31T10:10:19,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4/struc.xyz' 2025-08-31T10:10:19,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p/struc.xyz' 2025-08-31T10:10:19,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6/struc.xyz' 2025-08-31T10:10:19,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p/struc.xyz' 2025-08-31T10:10:19,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8/struc.xyz' 2025-08-31T10:10:19,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p/struc.xyz' 2025-08-31T10:10:19,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3/struc.xyz' 2025-08-31T10:10:19,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p/struc.xyz' 2025-08-31T10:10:19,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol/struc.xyz' 2025-08-31T10:10:19,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp/struc.xyz' 2025-08-31T10:10:19,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol/struc.xyz' 2025-08-31T10:10:19,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp/struc.xyz' 2025-08-31T10:10:19,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6/struc.xyz' 2025-08-31T10:10:19,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p/struc.xyz' 2025-08-31T10:10:19,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4/struc.xyz' 2025-08-31T10:10:19,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p/struc.xyz' 2025-08-31T10:10:19,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0/struc.xyz' 2025-08-31T10:10:19,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1/struc.xyz' 2025-08-31T10:10:19,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2/struc.xyz' 2025-08-31T10:10:19,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0/struc.xyz' 2025-08-31T10:10:19,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1/struc.xyz' 2025-08-31T10:10:19,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2/struc.xyz' 2025-08-31T10:10:19,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3/struc.xyz' 2025-08-31T10:10:19,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1/struc.xyz' 2025-08-31T10:10:19,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2/struc.xyz' 2025-08-31T10:10:19,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3/struc.xyz' 2025-08-31T10:10:19,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0/struc.xyz' 2025-08-31T10:10:19,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2/struc.xyz' 2025-08-31T10:10:19,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41/struc.xyz' 2025-08-31T10:10:19,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42/struc.xyz' 2025-08-31T10:10:19,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43/struc.xyz' 2025-08-31T10:10:19,479 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41/struc.xyz' 2025-08-31T10:10:19,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42/struc.xyz' 2025-08-31T10:10:19,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71/struc.xyz' 2025-08-31T10:10:19,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72/struc.xyz' 2025-08-31T10:10:19,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71/struc.xyz' 2025-08-31T10:10:19,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72/struc.xyz' 2025-08-31T10:10:19,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0/struc.xyz' 2025-08-31T10:10:19,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1/struc.xyz' 2025-08-31T10:10:19,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2/struc.xyz' 2025-08-31T10:10:19,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3/struc.xyz' 2025-08-31T10:10:19,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41/struc.xyz' 2025-08-31T10:10:19,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42/struc.xyz' 2025-08-31T10:10:19,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0/struc.xyz' 2025-08-31T10:10:19,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2/struc.xyz' 2025-08-31T10:10:19,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3/struc.xyz' 2025-08-31T10:10:19,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4/struc.xyz' 2025-08-31T10:10:19,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114/struc.xyz' 2025-08-31T10:10:19,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215/struc.xyz' 2025-08-31T10:10:19,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224/struc.xyz' 2025-08-31T10:10:19,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300/struc.xyz' 2025-08-31T10:10:19,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357/struc.xyz' 2025-08-31T10:10:19,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366/struc.xyz' 2025-08-31T10:10:19,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412/struc.xyz' 2025-08-31T10:10:19,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444/struc.xyz' 2025-08-31T10:10:19,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470/struc.xyz' 2025-08-31T10:10:19,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691/struc.xyz' 2025-08-31T10:10:19,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99/struc.xyz' 2025-08-31T10:10:19,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL/struc.xyz' 2025-08-31T10:10:19,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR/struc.xyz' 2025-08-31T10:10:19,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab/struc.xyz' 2025-08-31T10:10:19,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b/struc.xyz' 2025-08-31T10:10:19,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII/struc.xyz' 2025-08-31T10:10:19,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL/struc.xyz' 2025-08-31T10:10:19,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR/struc.xyz' 2025-08-31T10:10:19,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab/struc.xyz' 2025-08-31T10:10:19,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b/struc.xyz' 2025-08-31T10:10:19,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII/struc.xyz' 2025-08-31T10:10:19,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1/struc.xyz' 2025-08-31T10:10:19,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10/struc.xyz' 2025-08-31T10:10:19,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a/struc.xyz' 2025-08-31T10:10:19,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b/struc.xyz' 2025-08-31T10:10:19,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11/struc.xyz' 2025-08-31T10:10:19,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a/struc.xyz' 2025-08-31T10:10:19,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b/struc.xyz' 2025-08-31T10:10:19,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12/struc.xyz' 2025-08-31T10:10:19,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a/struc.xyz' 2025-08-31T10:10:19,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b/struc.xyz' 2025-08-31T10:10:19,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13/struc.xyz' 2025-08-31T10:10:19,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a/struc.xyz' 2025-08-31T10:10:19,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b/struc.xyz' 2025-08-31T10:10:19,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14/struc.xyz' 2025-08-31T10:10:19,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a/struc.xyz' 2025-08-31T10:10:19,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b/struc.xyz' 2025-08-31T10:10:19,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15/struc.xyz' 2025-08-31T10:10:19,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a/struc.xyz' 2025-08-31T10:10:19,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b/struc.xyz' 2025-08-31T10:10:19,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16/struc.xyz' 2025-08-31T10:10:19,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a/struc.xyz' 2025-08-31T10:10:19,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b/struc.xyz' 2025-08-31T10:10:19,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17/struc.xyz' 2025-08-31T10:10:19,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a/struc.xyz' 2025-08-31T10:10:19,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b/struc.xyz' 2025-08-31T10:10:19,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18/struc.xyz' 2025-08-31T10:10:19,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a/struc.xyz' 2025-08-31T10:10:19,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b/struc.xyz' 2025-08-31T10:10:19,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19/struc.xyz' 2025-08-31T10:10:19,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a/struc.xyz' 2025-08-31T10:10:19,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b/struc.xyz' 2025-08-31T10:10:19,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a/struc.xyz' 2025-08-31T10:10:19,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b/struc.xyz' 2025-08-31T10:10:19,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2/struc.xyz' 2025-08-31T10:10:19,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20/struc.xyz' 2025-08-31T10:10:19,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a/struc.xyz' 2025-08-31T10:10:19,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b/struc.xyz' 2025-08-31T10:10:19,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21/struc.xyz' 2025-08-31T10:10:19,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a/struc.xyz' 2025-08-31T10:10:19,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b/struc.xyz' 2025-08-31T10:10:19,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22/struc.xyz' 2025-08-31T10:10:19,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a/struc.xyz' 2025-08-31T10:10:19,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b/struc.xyz' 2025-08-31T10:10:19,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23/struc.xyz' 2025-08-31T10:10:19,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a/struc.xyz' 2025-08-31T10:10:19,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b/struc.xyz' 2025-08-31T10:10:19,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a/struc.xyz' 2025-08-31T10:10:19,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b/struc.xyz' 2025-08-31T10:10:19,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3/struc.xyz' 2025-08-31T10:10:19,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a/struc.xyz' 2025-08-31T10:10:19,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b/struc.xyz' 2025-08-31T10:10:19,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4/struc.xyz' 2025-08-31T10:10:19,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a/struc.xyz' 2025-08-31T10:10:19,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b/struc.xyz' 2025-08-31T10:10:19,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5/struc.xyz' 2025-08-31T10:10:19,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a/struc.xyz' 2025-08-31T10:10:19,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b/struc.xyz' 2025-08-31T10:10:19,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6/struc.xyz' 2025-08-31T10:10:19,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a/struc.xyz' 2025-08-31T10:10:19,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b/struc.xyz' 2025-08-31T10:10:19,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7/struc.xyz' 2025-08-31T10:10:19,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a/struc.xyz' 2025-08-31T10:10:19,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b/struc.xyz' 2025-08-31T10:10:19,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8/struc.xyz' 2025-08-31T10:10:19,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a/struc.xyz' 2025-08-31T10:10:19,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b/struc.xyz' 2025-08-31T10:10:19,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9/struc.xyz' 2025-08-31T10:10:19,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a/struc.xyz' 2025-08-31T10:10:19,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b/struc.xyz' 2025-08-31T10:10:19,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o/struc.xyz' 2025-08-31T10:10:19,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2/struc.xyz' 2025-08-31T10:10:19,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts/struc.xyz' 2025-08-31T10:10:19,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3/struc.xyz' 2025-08-31T10:10:19,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts/struc.xyz' 2025-08-31T10:10:19,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4/struc.xyz' 2025-08-31T10:10:19,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts/struc.xyz' 2025-08-31T10:10:19,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5/struc.xyz' 2025-08-31T10:10:19,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts/struc.xyz' 2025-08-31T10:10:19,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6/struc.xyz' 2025-08-31T10:10:19,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts/struc.xyz' 2025-08-31T10:10:19,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf/struc.xyz' 2025-08-31T10:10:19,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2/struc.xyz' 2025-08-31T10:10:19,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts/struc.xyz' 2025-08-31T10:10:19,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3/struc.xyz' 2025-08-31T10:10:19,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts/struc.xyz' 2025-08-31T10:10:19,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4/struc.xyz' 2025-08-31T10:10:19,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts/struc.xyz' 2025-08-31T10:10:19,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5/struc.xyz' 2025-08-31T10:10:19,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts/struc.xyz' 2025-08-31T10:10:19,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6/struc.xyz' 2025-08-31T10:10:19,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts/struc.xyz' 2025-08-31T10:10:19,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3/struc.xyz' 2025-08-31T10:10:19,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2/struc.xyz' 2025-08-31T10:10:19,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts/struc.xyz' 2025-08-31T10:10:19,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3/struc.xyz' 2025-08-31T10:10:19,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts/struc.xyz' 2025-08-31T10:10:19,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4/struc.xyz' 2025-08-31T10:10:19,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts/struc.xyz' 2025-08-31T10:10:19,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e/struc.xyz' 2025-08-31T10:10:19,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1/struc.xyz' 2025-08-31T10:10:19,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2/struc.xyz' 2025-08-31T10:10:19,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e/struc.xyz' 2025-08-31T10:10:19,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1/struc.xyz' 2025-08-31T10:10:19,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2/struc.xyz' 2025-08-31T10:10:19,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3/struc.xyz' 2025-08-31T10:10:19,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e/struc.xyz' 2025-08-31T10:10:19,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1/struc.xyz' 2025-08-31T10:10:19,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2/struc.xyz' 2025-08-31T10:10:19,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3/struc.xyz' 2025-08-31T10:10:19,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e/struc.xyz' 2025-08-31T10:10:19,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1/struc.xyz' 2025-08-31T10:10:19,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2/struc.xyz' 2025-08-31T10:10:19,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3/struc.xyz' 2025-08-31T10:10:19,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1/struc.xyz' 2025-08-31T10:10:19,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2/struc.xyz' 2025-08-31T10:10:19,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3/struc.xyz' 2025-08-31T10:10:19,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e/struc.xyz' 2025-08-31T10:10:19,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p/struc.xyz' 2025-08-31T10:10:19,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e/struc.xyz' 2025-08-31T10:10:19,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p/struc.xyz' 2025-08-31T10:10:19,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e/struc.xyz' 2025-08-31T10:10:19,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int/struc.xyz' 2025-08-31T10:10:19,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1/struc.xyz' 2025-08-31T10:10:19,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3/struc.xyz' 2025-08-31T10:10:19,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e/struc.xyz' 2025-08-31T10:10:19,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1/struc.xyz' 2025-08-31T10:10:19,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2/struc.xyz' 2025-08-31T10:10:19,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3/struc.xyz' 2025-08-31T10:10:19,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4/struc.xyz' 2025-08-31T10:10:19,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5/struc.xyz' 2025-08-31T10:10:19,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6/struc.xyz' 2025-08-31T10:10:19,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e/struc.xyz' 2025-08-31T10:10:19,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1/struc.xyz' 2025-08-31T10:10:19,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e/struc.xyz' 2025-08-31T10:10:19,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1/struc.xyz' 2025-08-31T10:10:19,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2/struc.xyz' 2025-08-31T10:10:19,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene/struc.xyz' 2025-08-31T10:10:19,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me/struc.xyz' 2025-08-31T10:10:19,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr/struc.xyz' 2025-08-31T10:10:19,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar/struc.xyz' 2025-08-31T10:10:19,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2/struc.xyz' 2025-08-31T10:10:19,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3/struc.xyz' 2025-08-31T10:10:19,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4/struc.xyz' 2025-08-31T10:10:19,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz/struc.xyz' 2025-08-31T10:10:19,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr/struc.xyz' 2025-08-31T10:10:19,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe/struc.xyz' 2025-08-31T10:10:19,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2/struc.xyz' 2025-08-31T10:10:19,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar/struc.xyz' 2025-08-31T10:10:19,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne/struc.xyz' 2025-08-31T10:10:19,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6/struc.xyz' 2025-08-31T10:10:19,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar/struc.xyz' 2025-08-31T10:10:19,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne/struc.xyz' 2025-08-31T10:10:19,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf/struc.xyz' 2025-08-31T10:10:19,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr/struc.xyz' 2025-08-31T10:10:19,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr/struc.xyz' 2025-08-31T10:10:19,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe/struc.xyz' 2025-08-31T10:10:19,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr/struc.xyz' 2025-08-31T10:10:19,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2/struc.xyz' 2025-08-31T10:10:19,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3/struc.xyz' 2025-08-31T10:10:19,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne/struc.xyz' 2025-08-31T10:10:19,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2/struc.xyz' 2025-08-31T10:10:19,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3/struc.xyz' 2025-08-31T10:10:19,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4/struc.xyz' 2025-08-31T10:10:19,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6/struc.xyz' 2025-08-31T10:10:19,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1/struc.xyz' 2025-08-31T10:10:19,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10/struc.xyz' 2025-08-31T10:10:19,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11/struc.xyz' 2025-08-31T10:10:19,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12/struc.xyz' 2025-08-31T10:10:19,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13/struc.xyz' 2025-08-31T10:10:19,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15/struc.xyz' 2025-08-31T10:10:19,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16/struc.xyz' 2025-08-31T10:10:19,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17/struc.xyz' 2025-08-31T10:10:19,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18/struc.xyz' 2025-08-31T10:10:19,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19/struc.xyz' 2025-08-31T10:10:19,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2/struc.xyz' 2025-08-31T10:10:19,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20/struc.xyz' 2025-08-31T10:10:19,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21/struc.xyz' 2025-08-31T10:10:19,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22/struc.xyz' 2025-08-31T10:10:19,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23/struc.xyz' 2025-08-31T10:10:19,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24/struc.xyz' 2025-08-31T10:10:19,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25/struc.xyz' 2025-08-31T10:10:19,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26/struc.xyz' 2025-08-31T10:10:19,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27/struc.xyz' 2025-08-31T10:10:19,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28/struc.xyz' 2025-08-31T10:10:19,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29/struc.xyz' 2025-08-31T10:10:19,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3/struc.xyz' 2025-08-31T10:10:19,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30/struc.xyz' 2025-08-31T10:10:19,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31/struc.xyz' 2025-08-31T10:10:19,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32/struc.xyz' 2025-08-31T10:10:19,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33/struc.xyz' 2025-08-31T10:10:19,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34/struc.xyz' 2025-08-31T10:10:19,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35/struc.xyz' 2025-08-31T10:10:19,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36/struc.xyz' 2025-08-31T10:10:19,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37/struc.xyz' 2025-08-31T10:10:19,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38/struc.xyz' 2025-08-31T10:10:19,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39/struc.xyz' 2025-08-31T10:10:19,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4/struc.xyz' 2025-08-31T10:10:19,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40/struc.xyz' 2025-08-31T10:10:19,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41/struc.xyz' 2025-08-31T10:10:19,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42/struc.xyz' 2025-08-31T10:10:19,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43/struc.xyz' 2025-08-31T10:10:19,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44/struc.xyz' 2025-08-31T10:10:19,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45/struc.xyz' 2025-08-31T10:10:19,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5/struc.xyz' 2025-08-31T10:10:19,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6/struc.xyz' 2025-08-31T10:10:19,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7/struc.xyz' 2025-08-31T10:10:19,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8/struc.xyz' 2025-08-31T10:10:19,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9/struc.xyz' 2025-08-31T10:10:19,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1/struc.xyz' 2025-08-31T10:10:19,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10/struc.xyz' 2025-08-31T10:10:19,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11/struc.xyz' 2025-08-31T10:10:19,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12/struc.xyz' 2025-08-31T10:10:19,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13/struc.xyz' 2025-08-31T10:10:19,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15/struc.xyz' 2025-08-31T10:10:19,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16/struc.xyz' 2025-08-31T10:10:19,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17/struc.xyz' 2025-08-31T10:10:19,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18/struc.xyz' 2025-08-31T10:10:19,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19/struc.xyz' 2025-08-31T10:10:19,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2/struc.xyz' 2025-08-31T10:10:19,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20/struc.xyz' 2025-08-31T10:10:19,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21/struc.xyz' 2025-08-31T10:10:19,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22/struc.xyz' 2025-08-31T10:10:19,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23/struc.xyz' 2025-08-31T10:10:19,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24/struc.xyz' 2025-08-31T10:10:19,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25/struc.xyz' 2025-08-31T10:10:19,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26/struc.xyz' 2025-08-31T10:10:19,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27/struc.xyz' 2025-08-31T10:10:19,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28/struc.xyz' 2025-08-31T10:10:19,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29/struc.xyz' 2025-08-31T10:10:19,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3/struc.xyz' 2025-08-31T10:10:19,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30/struc.xyz' 2025-08-31T10:10:19,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31/struc.xyz' 2025-08-31T10:10:19,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32/struc.xyz' 2025-08-31T10:10:19,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33/struc.xyz' 2025-08-31T10:10:19,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34/struc.xyz' 2025-08-31T10:10:19,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35/struc.xyz' 2025-08-31T10:10:19,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36/struc.xyz' 2025-08-31T10:10:19,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37/struc.xyz' 2025-08-31T10:10:19,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38/struc.xyz' 2025-08-31T10:10:19,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39/struc.xyz' 2025-08-31T10:10:19,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4/struc.xyz' 2025-08-31T10:10:19,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40/struc.xyz' 2025-08-31T10:10:19,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41/struc.xyz' 2025-08-31T10:10:19,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42/struc.xyz' 2025-08-31T10:10:19,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43/struc.xyz' 2025-08-31T10:10:19,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44/struc.xyz' 2025-08-31T10:10:19,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45/struc.xyz' 2025-08-31T10:10:19,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5/struc.xyz' 2025-08-31T10:10:19,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6/struc.xyz' 2025-08-31T10:10:19,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7/struc.xyz' 2025-08-31T10:10:19,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8/struc.xyz' 2025-08-31T10:10:19,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9/struc.xyz' 2025-08-31T10:10:19,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01/struc.xyz' 2025-08-31T10:10:19,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a/struc.xyz' 2025-08-31T10:10:19,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02/struc.xyz' 2025-08-31T10:10:19,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a/struc.xyz' 2025-08-31T10:10:19,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b/struc.xyz' 2025-08-31T10:10:19,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03/struc.xyz' 2025-08-31T10:10:19,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a/struc.xyz' 2025-08-31T10:10:19,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04/struc.xyz' 2025-08-31T10:10:19,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a/struc.xyz' 2025-08-31T10:10:19,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05/struc.xyz' 2025-08-31T10:10:19,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a/struc.xyz' 2025-08-31T10:10:19,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06/struc.xyz' 2025-08-31T10:10:19,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a/struc.xyz' 2025-08-31T10:10:19,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b/struc.xyz' 2025-08-31T10:10:19,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07/struc.xyz' 2025-08-31T10:10:19,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a/struc.xyz' 2025-08-31T10:10:19,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b/struc.xyz' 2025-08-31T10:10:19,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08/struc.xyz' 2025-08-31T10:10:19,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a/struc.xyz' 2025-08-31T10:10:19,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09/struc.xyz' 2025-08-31T10:10:19,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a/struc.xyz' 2025-08-31T10:10:19,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10/struc.xyz' 2025-08-31T10:10:19,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a/struc.xyz' 2025-08-31T10:10:19,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b/struc.xyz' 2025-08-31T10:10:19,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11/struc.xyz' 2025-08-31T10:10:19,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a/struc.xyz' 2025-08-31T10:10:19,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12/struc.xyz' 2025-08-31T10:10:19,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a/struc.xyz' 2025-08-31T10:10:19,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13/struc.xyz' 2025-08-31T10:10:19,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a/struc.xyz' 2025-08-31T10:10:19,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14/struc.xyz' 2025-08-31T10:10:19,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a/struc.xyz' 2025-08-31T10:10:19,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b/struc.xyz' 2025-08-31T10:10:20,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15/struc.xyz' 2025-08-31T10:10:20,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a/struc.xyz' 2025-08-31T10:10:20,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b/struc.xyz' 2025-08-31T10:10:20,004 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16/struc.xyz' 2025-08-31T10:10:20,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a/struc.xyz' 2025-08-31T10:10:20,007 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b/struc.xyz' 2025-08-31T10:10:20,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17/struc.xyz' 2025-08-31T10:10:20,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a/struc.xyz' 2025-08-31T10:10:20,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b/struc.xyz' 2025-08-31T10:10:20,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18/struc.xyz' 2025-08-31T10:10:20,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a/struc.xyz' 2025-08-31T10:10:20,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b/struc.xyz' 2025-08-31T10:10:20,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19/struc.xyz' 2025-08-31T10:10:20,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a/struc.xyz' 2025-08-31T10:10:20,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b/struc.xyz' 2025-08-31T10:10:20,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20/struc.xyz' 2025-08-31T10:10:20,024 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a/struc.xyz' 2025-08-31T10:10:20,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b/struc.xyz' 2025-08-31T10:10:20,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21/struc.xyz' 2025-08-31T10:10:20,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a/struc.xyz' 2025-08-31T10:10:20,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b/struc.xyz' 2025-08-31T10:10:20,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22/struc.xyz' 2025-08-31T10:10:20,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a/struc.xyz' 2025-08-31T10:10:20,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b/struc.xyz' 2025-08-31T10:10:20,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01/struc.xyz' 2025-08-31T10:10:20,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A/struc.xyz' 2025-08-31T10:10:20,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B/struc.xyz' 2025-08-31T10:10:20,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02/struc.xyz' 2025-08-31T10:10:20,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A/struc.xyz' 2025-08-31T10:10:20,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B/struc.xyz' 2025-08-31T10:10:20,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03/struc.xyz' 2025-08-31T10:10:20,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A/struc.xyz' 2025-08-31T10:10:20,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B/struc.xyz' 2025-08-31T10:10:20,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04/struc.xyz' 2025-08-31T10:10:20,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A/struc.xyz' 2025-08-31T10:10:20,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B/struc.xyz' 2025-08-31T10:10:20,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05/struc.xyz' 2025-08-31T10:10:20,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A/struc.xyz' 2025-08-31T10:10:20,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B/struc.xyz' 2025-08-31T10:10:20,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06/struc.xyz' 2025-08-31T10:10:20,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A/struc.xyz' 2025-08-31T10:10:20,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B/struc.xyz' 2025-08-31T10:10:20,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07/struc.xyz' 2025-08-31T10:10:20,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A/struc.xyz' 2025-08-31T10:10:20,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B/struc.xyz' 2025-08-31T10:10:20,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08/struc.xyz' 2025-08-31T10:10:20,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A/struc.xyz' 2025-08-31T10:10:20,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B/struc.xyz' 2025-08-31T10:10:20,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09/struc.xyz' 2025-08-31T10:10:20,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A/struc.xyz' 2025-08-31T10:10:20,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B/struc.xyz' 2025-08-31T10:10:20,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10/struc.xyz' 2025-08-31T10:10:20,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A/struc.xyz' 2025-08-31T10:10:20,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B/struc.xyz' 2025-08-31T10:10:20,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11/struc.xyz' 2025-08-31T10:10:20,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A/struc.xyz' 2025-08-31T10:10:20,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B/struc.xyz' 2025-08-31T10:10:20,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12/struc.xyz' 2025-08-31T10:10:20,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A/struc.xyz' 2025-08-31T10:10:20,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B/struc.xyz' 2025-08-31T10:10:20,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13/struc.xyz' 2025-08-31T10:10:20,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A/struc.xyz' 2025-08-31T10:10:20,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B/struc.xyz' 2025-08-31T10:10:20,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14/struc.xyz' 2025-08-31T10:10:20,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A/struc.xyz' 2025-08-31T10:10:20,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B/struc.xyz' 2025-08-31T10:10:20,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15/struc.xyz' 2025-08-31T10:10:20,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A/struc.xyz' 2025-08-31T10:10:20,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B/struc.xyz' 2025-08-31T10:10:20,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16/struc.xyz' 2025-08-31T10:10:20,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A/struc.xyz' 2025-08-31T10:10:20,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B/struc.xyz' 2025-08-31T10:10:20,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17/struc.xyz' 2025-08-31T10:10:20,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A/struc.xyz' 2025-08-31T10:10:20,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B/struc.xyz' 2025-08-31T10:10:20,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18/struc.xyz' 2025-08-31T10:10:20,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A/struc.xyz' 2025-08-31T10:10:20,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B/struc.xyz' 2025-08-31T10:10:20,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19/struc.xyz' 2025-08-31T10:10:20,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A/struc.xyz' 2025-08-31T10:10:20,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B/struc.xyz' 2025-08-31T10:10:20,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20/struc.xyz' 2025-08-31T10:10:20,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A/struc.xyz' 2025-08-31T10:10:20,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B/struc.xyz' 2025-08-31T10:10:20,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21/struc.xyz' 2025-08-31T10:10:20,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A/struc.xyz' 2025-08-31T10:10:20,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B/struc.xyz' 2025-08-31T10:10:20,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22/struc.xyz' 2025-08-31T10:10:20,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A/struc.xyz' 2025-08-31T10:10:20,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B/struc.xyz' 2025-08-31T10:10:20,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23/struc.xyz' 2025-08-31T10:10:20,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A/struc.xyz' 2025-08-31T10:10:20,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B/struc.xyz' 2025-08-31T10:10:20,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24/struc.xyz' 2025-08-31T10:10:20,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A/struc.xyz' 2025-08-31T10:10:20,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B/struc.xyz' 2025-08-31T10:10:20,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25/struc.xyz' 2025-08-31T10:10:20,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A/struc.xyz' 2025-08-31T10:10:20,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B/struc.xyz' 2025-08-31T10:10:20,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26/struc.xyz' 2025-08-31T10:10:20,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A/struc.xyz' 2025-08-31T10:10:20,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B/struc.xyz' 2025-08-31T10:10:20,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27/struc.xyz' 2025-08-31T10:10:20,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A/struc.xyz' 2025-08-31T10:10:20,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B/struc.xyz' 2025-08-31T10:10:20,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28/struc.xyz' 2025-08-31T10:10:20,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A/struc.xyz' 2025-08-31T10:10:20,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B/struc.xyz' 2025-08-31T10:10:20,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29/struc.xyz' 2025-08-31T10:10:20,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A/struc.xyz' 2025-08-31T10:10:20,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B/struc.xyz' 2025-08-31T10:10:20,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30/struc.xyz' 2025-08-31T10:10:20,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A/struc.xyz' 2025-08-31T10:10:20,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B/struc.xyz' 2025-08-31T10:10:20,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31/struc.xyz' 2025-08-31T10:10:20,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A/struc.xyz' 2025-08-31T10:10:20,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B/struc.xyz' 2025-08-31T10:10:20,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32/struc.xyz' 2025-08-31T10:10:20,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A/struc.xyz' 2025-08-31T10:10:20,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B/struc.xyz' 2025-08-31T10:10:20,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33/struc.xyz' 2025-08-31T10:10:20,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A/struc.xyz' 2025-08-31T10:10:20,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B/struc.xyz' 2025-08-31T10:10:20,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34/struc.xyz' 2025-08-31T10:10:20,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A/struc.xyz' 2025-08-31T10:10:20,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B/struc.xyz' 2025-08-31T10:10:20,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35/struc.xyz' 2025-08-31T10:10:20,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A/struc.xyz' 2025-08-31T10:10:20,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B/struc.xyz' 2025-08-31T10:10:20,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36/struc.xyz' 2025-08-31T10:10:20,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A/struc.xyz' 2025-08-31T10:10:20,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B/struc.xyz' 2025-08-31T10:10:20,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37/struc.xyz' 2025-08-31T10:10:20,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A/struc.xyz' 2025-08-31T10:10:20,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B/struc.xyz' 2025-08-31T10:10:20,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38/struc.xyz' 2025-08-31T10:10:20,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A/struc.xyz' 2025-08-31T10:10:20,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B/struc.xyz' 2025-08-31T10:10:20,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39/struc.xyz' 2025-08-31T10:10:20,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A/struc.xyz' 2025-08-31T10:10:20,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B/struc.xyz' 2025-08-31T10:10:20,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40/struc.xyz' 2025-08-31T10:10:20,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A/struc.xyz' 2025-08-31T10:10:20,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B/struc.xyz' 2025-08-31T10:10:20,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41/struc.xyz' 2025-08-31T10:10:20,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A/struc.xyz' 2025-08-31T10:10:20,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B/struc.xyz' 2025-08-31T10:10:20,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42/struc.xyz' 2025-08-31T10:10:20,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A/struc.xyz' 2025-08-31T10:10:20,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B/struc.xyz' 2025-08-31T10:10:20,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43/struc.xyz' 2025-08-31T10:10:20,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A/struc.xyz' 2025-08-31T10:10:20,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B/struc.xyz' 2025-08-31T10:10:20,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44/struc.xyz' 2025-08-31T10:10:20,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A/struc.xyz' 2025-08-31T10:10:20,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B/struc.xyz' 2025-08-31T10:10:20,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45/struc.xyz' 2025-08-31T10:10:20,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A/struc.xyz' 2025-08-31T10:10:20,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B/struc.xyz' 2025-08-31T10:10:20,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46/struc.xyz' 2025-08-31T10:10:20,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A/struc.xyz' 2025-08-31T10:10:20,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B/struc.xyz' 2025-08-31T10:10:20,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47/struc.xyz' 2025-08-31T10:10:20,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A/struc.xyz' 2025-08-31T10:10:20,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B/struc.xyz' 2025-08-31T10:10:20,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48/struc.xyz' 2025-08-31T10:10:20,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A/struc.xyz' 2025-08-31T10:10:20,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B/struc.xyz' 2025-08-31T10:10:20,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49/struc.xyz' 2025-08-31T10:10:20,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A/struc.xyz' 2025-08-31T10:10:20,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B/struc.xyz' 2025-08-31T10:10:20,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50/struc.xyz' 2025-08-31T10:10:20,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A/struc.xyz' 2025-08-31T10:10:20,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B/struc.xyz' 2025-08-31T10:10:20,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51/struc.xyz' 2025-08-31T10:10:20,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A/struc.xyz' 2025-08-31T10:10:20,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B/struc.xyz' 2025-08-31T10:10:20,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52/struc.xyz' 2025-08-31T10:10:20,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A/struc.xyz' 2025-08-31T10:10:20,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B/struc.xyz' 2025-08-31T10:10:20,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53/struc.xyz' 2025-08-31T10:10:20,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A/struc.xyz' 2025-08-31T10:10:20,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B/struc.xyz' 2025-08-31T10:10:20,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54/struc.xyz' 2025-08-31T10:10:20,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A/struc.xyz' 2025-08-31T10:10:20,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B/struc.xyz' 2025-08-31T10:10:20,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55/struc.xyz' 2025-08-31T10:10:20,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A/struc.xyz' 2025-08-31T10:10:20,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B/struc.xyz' 2025-08-31T10:10:20,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56/struc.xyz' 2025-08-31T10:10:20,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A/struc.xyz' 2025-08-31T10:10:20,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B/struc.xyz' 2025-08-31T10:10:20,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57/struc.xyz' 2025-08-31T10:10:20,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A/struc.xyz' 2025-08-31T10:10:20,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B/struc.xyz' 2025-08-31T10:10:20,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58/struc.xyz' 2025-08-31T10:10:20,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A/struc.xyz' 2025-08-31T10:10:20,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B/struc.xyz' 2025-08-31T10:10:20,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59/struc.xyz' 2025-08-31T10:10:20,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A/struc.xyz' 2025-08-31T10:10:20,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B/struc.xyz' 2025-08-31T10:10:20,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60/struc.xyz' 2025-08-31T10:10:20,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A/struc.xyz' 2025-08-31T10:10:20,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B/struc.xyz' 2025-08-31T10:10:20,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61/struc.xyz' 2025-08-31T10:10:20,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A/struc.xyz' 2025-08-31T10:10:20,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B/struc.xyz' 2025-08-31T10:10:20,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62/struc.xyz' 2025-08-31T10:10:20,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A/struc.xyz' 2025-08-31T10:10:20,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B/struc.xyz' 2025-08-31T10:10:20,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63/struc.xyz' 2025-08-31T10:10:20,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A/struc.xyz' 2025-08-31T10:10:20,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B/struc.xyz' 2025-08-31T10:10:20,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64/struc.xyz' 2025-08-31T10:10:20,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A/struc.xyz' 2025-08-31T10:10:20,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B/struc.xyz' 2025-08-31T10:10:20,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65/struc.xyz' 2025-08-31T10:10:20,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A/struc.xyz' 2025-08-31T10:10:20,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B/struc.xyz' 2025-08-31T10:10:20,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66/struc.xyz' 2025-08-31T10:10:20,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A/struc.xyz' 2025-08-31T10:10:20,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B/struc.xyz' 2025-08-31T10:10:20,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1/struc.xyz' 2025-08-31T10:10:20,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10/struc.xyz' 2025-08-31T10:10:20,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11/struc.xyz' 2025-08-31T10:10:20,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12/struc.xyz' 2025-08-31T10:10:20,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13/struc.xyz' 2025-08-31T10:10:20,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14/struc.xyz' 2025-08-31T10:10:20,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15/struc.xyz' 2025-08-31T10:10:20,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2/struc.xyz' 2025-08-31T10:10:20,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3/struc.xyz' 2025-08-31T10:10:20,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4/struc.xyz' 2025-08-31T10:10:20,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5/struc.xyz' 2025-08-31T10:10:20,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6/struc.xyz' 2025-08-31T10:10:20,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7/struc.xyz' 2025-08-31T10:10:20,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8/struc.xyz' 2025-08-31T10:10:20,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9/struc.xyz' 2025-08-31T10:10:20,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1/struc.xyz' 2025-08-31T10:10:20,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2/struc.xyz' 2025-08-31T10:10:20,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3/struc.xyz' 2025-08-31T10:10:20,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4/struc.xyz' 2025-08-31T10:10:20,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h/struc.xyz' 2025-08-31T10:10:20,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz' 2025-08-31T10:10:20,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz' 2025-08-31T10:10:20,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz' 2025-08-31T10:10:20,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz' 2025-08-31T10:10:20,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o/struc.xyz' 2025-08-31T10:10:20,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+/struc.xyz' 2025-08-31T10:10:20,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz' 2025-08-31T10:10:20,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz' 2025-08-31T10:10:20,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz' 2025-08-31T10:10:20,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz' 2025-08-31T10:10:20,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he/struc.xyz' 2025-08-31T10:10:20,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+/struc.xyz' 2025-08-31T10:10:20,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz' 2025-08-31T10:10:20,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz' 2025-08-31T10:10:20,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz' 2025-08-31T10:10:20,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz' 2025-08-31T10:10:20,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3/struc.xyz' 2025-08-31T10:10:20,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+/struc.xyz' 2025-08-31T10:10:20,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz' 2025-08-31T10:10:20,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz' 2025-08-31T10:10:20,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz' 2025-08-31T10:10:20,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz' 2025-08-31T10:10:20,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1/struc.xyz' 2025-08-31T10:10:20,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13/struc.xyz' 2025-08-31T10:10:20,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A/struc.xyz' 2025-08-31T10:10:20,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B/struc.xyz' 2025-08-31T10:10:20,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18/struc.xyz' 2025-08-31T10:10:20,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A/struc.xyz' 2025-08-31T10:10:20,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B/struc.xyz' 2025-08-31T10:10:20,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2/struc.xyz' 2025-08-31T10:10:20,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20/struc.xyz' 2025-08-31T10:10:20,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24/struc.xyz' 2025-08-31T10:10:20,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A/struc.xyz' 2025-08-31T10:10:20,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25/struc.xyz' 2025-08-31T10:10:20,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A/struc.xyz' 2025-08-31T10:10:20,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B/struc.xyz' 2025-08-31T10:10:20,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34/struc.xyz' 2025-08-31T10:10:20,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39/struc.xyz' 2025-08-31T10:10:20,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4/struc.xyz' 2025-08-31T10:10:20,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40/struc.xyz' 2025-08-31T10:10:20,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43/struc.xyz' 2025-08-31T10:10:20,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45/struc.xyz' 2025-08-31T10:10:20,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47/struc.xyz' 2025-08-31T10:10:20,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48/struc.xyz' 2025-08-31T10:10:20,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A/struc.xyz' 2025-08-31T10:10:20,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B/struc.xyz' 2025-08-31T10:10:20,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5/struc.xyz' 2025-08-31T10:10:20,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58/struc.xyz' 2025-08-31T10:10:20,479 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59/struc.xyz' 2025-08-31T10:10:20,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A/struc.xyz' 2025-08-31T10:10:20,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B/struc.xyz' 2025-08-31T10:10:20,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6/struc.xyz' 2025-08-31T10:10:20,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68/struc.xyz' 2025-08-31T10:10:20,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A/struc.xyz' 2025-08-31T10:10:20,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B/struc.xyz' 2025-08-31T10:10:20,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73/struc.xyz' 2025-08-31T10:10:20,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8/struc.xyz' 2025-08-31T10:10:20,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A/struc.xyz' 2025-08-31T10:10:20,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B/struc.xyz' 2025-08-31T10:10:20,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a/struc.xyz' 2025-08-31T10:10:20,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b/struc.xyz' 2025-08-31T10:10:20,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr/struc.xyz' 2025-08-31T10:10:20,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz' 2025-08-31T10:10:20,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4/struc.xyz' 2025-08-31T10:10:20,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20/struc.xyz' 2025-08-31T10:10:20,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12/struc.xyz' 2025-08-31T10:10:20,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n/struc.xyz' 2025-08-31T10:10:20,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14/struc.xyz' 2025-08-31T10:10:20,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n/struc.xyz' 2025-08-31T10:10:20,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20/struc.xyz' 2025-08-31T10:10:20,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n/struc.xyz' 2025-08-31T10:10:20,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21/struc.xyz' 2025-08-31T10:10:20,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n/struc.xyz' 2025-08-31T10:10:20,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25/struc.xyz' 2025-08-31T10:10:20,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n/struc.xyz' 2025-08-31T10:10:20,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s/struc.xyz' 2025-08-31T10:10:20,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-/struc.xyz' 2025-08-31T10:10:20,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O/struc.xyz' 2025-08-31T10:10:20,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS/struc.xyz' 2025-08-31T10:10:20,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S/struc.xyz' 2025-08-31T10:10:20,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS/struc.xyz' 2025-08-31T10:10:20,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64/struc.xyz' 2025-08-31T10:10:20,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67/struc.xyz' 2025-08-31T10:10:20,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71/struc.xyz' 2025-08-31T10:10:20,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74/struc.xyz' 2025-08-31T10:10:20,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76/struc.xyz' 2025-08-31T10:10:20,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78/struc.xyz' 2025-08-31T10:10:20,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80/struc.xyz' 2025-08-31T10:10:20,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH/struc.xyz' 2025-08-31T10:10:20,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr/struc.xyz' 2025-08-31T10:10:20,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl/struc.xyz' 2025-08-31T10:10:20,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2/struc.xyz' 2025-08-31T10:10:20,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm/struc.xyz' 2025-08-31T10:10:20,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O/struc.xyz' 2025-08-31T10:10:20,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1/struc.xyz' 2025-08-31T10:10:20,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20/struc.xyz' 2025-08-31T10:10:20,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH/struc.xyz' 2025-08-31T10:10:20,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl/struc.xyz' 2025-08-31T10:10:20,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02/struc.xyz' 2025-08-31T10:10:20,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10/struc.xyz' 2025-08-31T10:10:20,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17/struc.xyz' 2025-08-31T10:10:20,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al/struc.xyz' 2025-08-31T10:10:20,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl/struc.xyz' 2025-08-31T10:10:20,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3/struc.xyz' 2025-08-31T10:10:20,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar/struc.xyz' 2025-08-31T10:10:20,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2/struc.xyz' 2025-08-31T10:10:20,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3/struc.xyz' 2025-08-31T10:10:20,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4/struc.xyz' 2025-08-31T10:10:20,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b/struc.xyz' 2025-08-31T10:10:20,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2/struc.xyz' 2025-08-31T10:10:20,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be/struc.xyz' 2025-08-31T10:10:20,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+/struc.xyz' 2025-08-31T10:10:20,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+/struc.xyz' 2025-08-31T10:10:20,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c/struc.xyz' 2025-08-31T10:10:20,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2/struc.xyz' 2025-08-31T10:10:20,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar/struc.xyz' 2025-08-31T10:10:20,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne/struc.xyz' 2025-08-31T10:10:20,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p/struc.xyz' 2025-08-31T10:10:20,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca/struc.xyz' 2025-08-31T10:10:20,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao/struc.xyz' 2025-08-31T10:10:20,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2/struc.xyz' 2025-08-31T10:10:20,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2/struc.xyz' 2025-08-31T10:10:20,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s/struc.xyz' 2025-08-31T10:10:20,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp/struc.xyz' 2025-08-31T10:10:20,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3/struc.xyz' 2025-08-31T10:10:20,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f/struc.xyz' 2025-08-31T10:10:20,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl/struc.xyz' 2025-08-31T10:10:20,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2/struc.xyz' 2025-08-31T10:10:20,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf/struc.xyz' 2025-08-31T10:10:20,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f/struc.xyz' 2025-08-31T10:10:20,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+/struc.xyz' 2025-08-31T10:10:20,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic/struc.xyz' 2025-08-31T10:10:20,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h/struc.xyz' 2025-08-31T10:10:20,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2/struc.xyz' 2025-08-31T10:10:20,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25/struc.xyz' 2025-08-31T10:10:20,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5/struc.xyz' 2025-08-31T10:10:20,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75/struc.xyz' 2025-08-31T10:10:20,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2/struc.xyz' 2025-08-31T10:10:20,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis/struc.xyz' 2025-08-31T10:10:20,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans/struc.xyz' 2025-08-31T10:10:20,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p/struc.xyz' 2025-08-31T10:10:20,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s/struc.xyz' 2025-08-31T10:10:20,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2/struc.xyz' 2025-08-31T10:10:20,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis/struc.xyz' 2025-08-31T10:10:20,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+/struc.xyz' 2025-08-31T10:10:20,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2/struc.xyz' 2025-08-31T10:10:20,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl/struc.xyz' 2025-08-31T10:10:20,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp/struc.xyz' 2025-08-31T10:10:20,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn/struc.xyz' 2025-08-31T10:10:20,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts/struc.xyz' 2025-08-31T10:10:20,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco/struc.xyz' 2025-08-31T10:10:20,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots/struc.xyz' 2025-08-31T10:10:20,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he/struc.xyz' 2025-08-31T10:10:20,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+/struc.xyz' 2025-08-31T10:10:20,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf/struc.xyz' 2025-08-31T10:10:20,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr/struc.xyz' 2025-08-31T10:10:20,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe/struc.xyz' 2025-08-31T10:10:20,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts/struc.xyz' 2025-08-31T10:10:20,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2/struc.xyz' 2025-08-31T10:10:20,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts/struc.xyz' 2025-08-31T10:10:20,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc/struc.xyz' 2025-08-31T10:10:20,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn/struc.xyz' 2025-08-31T10:10:20,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo/struc.xyz' 2025-08-31T10:10:20,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k/struc.xyz' 2025-08-31T10:10:20,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf/struc.xyz' 2025-08-31T10:10:20,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr/struc.xyz' 2025-08-31T10:10:20,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2/struc.xyz' 2025-08-31T10:10:20,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3/struc.xyz' 2025-08-31T10:10:20,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg/struc.xyz' 2025-08-31T10:10:20,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+/struc.xyz' 2025-08-31T10:10:20,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs/struc.xyz' 2025-08-31T10:10:20,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne/struc.xyz' 2025-08-31T10:10:20,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3/struc.xyz' 2025-08-31T10:10:20,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4/struc.xyz' 2025-08-31T10:10:20,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz' 2025-08-31T10:10:20,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz' 2025-08-31T10:10:20,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3/struc.xyz' 2025-08-31T10:10:20,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p/struc.xyz' 2025-08-31T10:10:20,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o/struc.xyz' 2025-08-31T10:10:20,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo/struc.xyz' 2025-08-31T10:10:20,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh/struc.xyz' 2025-08-31T10:10:20,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1/struc.xyz' 2025-08-31T10:10:20,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s/struc.xyz' 2025-08-31T10:10:20,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh/struc.xyz' 2025-08-31T10:10:20,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh/struc.xyz' 2025-08-31T10:10:20,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si/struc.xyz' 2025-08-31T10:10:20,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+/struc.xyz' 2025-08-31T10:10:20,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4/struc.xyz' 2025-08-31T10:10:20,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2/struc.xyz' 2025-08-31T10:10:20,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl/struc.xyz' 2025-08-31T10:10:20,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi/struc.xyz' 2025-08-31T10:10:20,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1/struc.xyz' 2025-08-31T10:10:20,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a/struc.xyz' 2025-08-31T10:10:20,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b/struc.xyz' 2025-08-31T10:10:20,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a/struc.xyz' 2025-08-31T10:10:20,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b/struc.xyz' 2025-08-31T10:10:20,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a/struc.xyz' 2025-08-31T10:10:20,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b/struc.xyz' 2025-08-31T10:10:20,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a/struc.xyz' 2025-08-31T10:10:20,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b/struc.xyz' 2025-08-31T10:10:20,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c/struc.xyz' 2025-08-31T10:10:20,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d/struc.xyz' 2025-08-31T10:10:20,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a/struc.xyz' 2025-08-31T10:10:20,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b/struc.xyz' 2025-08-31T10:10:20,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a/struc.xyz' 2025-08-31T10:10:20,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b/struc.xyz' 2025-08-31T10:10:20,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c/struc.xyz' 2025-08-31T10:10:20,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a/struc.xyz' 2025-08-31T10:10:20,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b/struc.xyz' 2025-08-31T10:10:20,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c/struc.xyz' 2025-08-31T10:10:20,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d/struc.xyz' 2025-08-31T10:10:20,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a/struc.xyz' 2025-08-31T10:10:20,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b/struc.xyz' 2025-08-31T10:10:20,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a/struc.xyz' 2025-08-31T10:10:20,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b/struc.xyz' 2025-08-31T10:10:20,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a/struc.xyz' 2025-08-31T10:10:20,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b/struc.xyz' 2025-08-31T10:10:20,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a/struc.xyz' 2025-08-31T10:10:20,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b/struc.xyz' 2025-08-31T10:10:20,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a/struc.xyz' 2025-08-31T10:10:20,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b/struc.xyz' 2025-08-31T10:10:20,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c/struc.xyz' 2025-08-31T10:10:20,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e/struc.xyz' 2025-08-31T10:10:20,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f/struc.xyz' 2025-08-31T10:10:20,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g/struc.xyz' 2025-08-31T10:10:20,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m/struc.xyz' 2025-08-31T10:10:20,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p/struc.xyz' 2025-08-31T10:10:20,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a/struc.xyz' 2025-08-31T10:10:20,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h/struc.xyz' 2025-08-31T10:10:20,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p/struc.xyz' 2025-08-31T10:10:20,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a/struc.xyz' 2025-08-31T10:10:20,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b/struc.xyz' 2025-08-31T10:10:20,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d/struc.xyz' 2025-08-31T10:10:20,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b/struc.xyz' 2025-08-31T10:10:20,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z/struc.xyz' 2025-08-31T10:10:20,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p/struc.xyz' 2025-08-31T10:10:20,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a/struc.xyz' 2025-08-31T10:10:20,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p/struc.xyz' 2025-08-31T10:10:20,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d/struc.xyz' 2025-08-31T10:10:20,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a/struc.xyz' 2025-08-31T10:10:20,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa/struc.xyz' 2025-08-31T10:10:20,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde/struc.xyz' 2025-08-31T10:10:20,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic/struc.xyz' 2025-08-31T10:10:20,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al/struc.xyz' 2025-08-31T10:10:20,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl/struc.xyz' 2025-08-31T10:10:20,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3/struc.xyz' 2025-08-31T10:10:20,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf/struc.xyz' 2025-08-31T10:10:20,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3/struc.xyz' 2025-08-31T10:10:20,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh/struc.xyz' 2025-08-31T10:10:20,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3/struc.xyz' 2025-08-31T10:10:20,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene/struc.xyz' 2025-08-31T10:10:20,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b/struc.xyz' 2025-08-31T10:10:20,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2/struc.xyz' 2025-08-31T10:10:20,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6/struc.xyz' 2025-08-31T10:10:20,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be/struc.xyz' 2025-08-31T10:10:20,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2/struc.xyz' 2025-08-31T10:10:20,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2/struc.xyz' 2025-08-31T10:10:20,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2/struc.xyz' 2025-08-31T10:10:20,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf/struc.xyz' 2025-08-31T10:10:20,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3/struc.xyz' 2025-08-31T10:10:20,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh/struc.xyz' 2025-08-31T10:10:20,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3/struc.xyz' 2025-08-31T10:10:20,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2/struc.xyz' 2025-08-31T10:10:20,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn/struc.xyz' 2025-08-31T10:10:20,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi/struc.xyz' 2025-08-31T10:10:20,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c/struc.xyz' 2025-08-31T10:10:20,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh/struc.xyz' 2025-08-31T10:10:20,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono/struc.xyz' 2025-08-31T10:10:20,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo/struc.xyz' 2025-08-31T10:10:20,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2/struc.xyz' 2025-08-31T10:10:20,863 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2/struc.xyz' 2025-08-31T10:10:20,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2/struc.xyz' 2025-08-31T10:10:20,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f/struc.xyz' 2025-08-31T10:10:20,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4/struc.xyz' 2025-08-31T10:10:20,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f/struc.xyz' 2025-08-31T10:10:20,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6/struc.xyz' 2025-08-31T10:10:20,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch/struc.xyz' 2025-08-31T10:10:20,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2/struc.xyz' 2025-08-31T10:10:20,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf/struc.xyz' 2025-08-31T10:10:20,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2/struc.xyz' 2025-08-31T10:10:20,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4/struc.xyz' 2025-08-31T10:10:20,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch/struc.xyz' 2025-08-31T10:10:20,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing/struc.xyz' 2025-08-31T10:10:20,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip/struc.xyz' 2025-08-31T10:10:20,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c/struc.xyz' 2025-08-31T10:10:20,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch/struc.xyz' 2025-08-31T10:10:20,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2/struc.xyz' 2025-08-31T10:10:20,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh/struc.xyz' 2025-08-31T10:10:20,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2/struc.xyz' 2025-08-31T10:10:20,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3/struc.xyz' 2025-08-31T10:10:20,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f/struc.xyz' 2025-08-31T10:10:20,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh/struc.xyz' 2025-08-31T10:10:20,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2/struc.xyz' 2025-08-31T10:10:20,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4/struc.xyz' 2025-08-31T10:10:20,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl/struc.xyz' 2025-08-31T10:10:20,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2/struc.xyz' 2025-08-31T10:10:20,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o/struc.xyz' 2025-08-31T10:10:20,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn/struc.xyz' 2025-08-31T10:10:20,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf/struc.xyz' 2025-08-31T10:10:20,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo/struc.xyz' 2025-08-31T10:10:20,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo/struc.xyz' 2025-08-31T10:10:20,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn/struc.xyz' 2025-08-31T10:10:20,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co/struc.xyz' 2025-08-31T10:10:20,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2/struc.xyz' 2025-08-31T10:10:20,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs/struc.xyz' 2025-08-31T10:10:20,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2/struc.xyz' 2025-08-31T10:10:20,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane/struc.xyz' 2025-08-31T10:10:20,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol/struc.xyz' 2025-08-31T10:10:20,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f/struc.xyz' 2025-08-31T10:10:20,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2/struc.xyz' 2025-08-31T10:10:20,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co/struc.xyz' 2025-08-31T10:10:20,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o/struc.xyz' 2025-08-31T10:10:20,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf/struc.xyz' 2025-08-31T10:10:20,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2/struc.xyz' 2025-08-31T10:10:20,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof/struc.xyz' 2025-08-31T10:10:20,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic/struc.xyz' 2025-08-31T10:10:20,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal/struc.xyz' 2025-08-31T10:10:20,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h/struc.xyz' 2025-08-31T10:10:20,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2/struc.xyz' 2025-08-31T10:10:20,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn/struc.xyz' 2025-08-31T10:10:20,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co/struc.xyz' 2025-08-31T10:10:20,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o/struc.xyz' 2025-08-31T10:10:20,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s/struc.xyz' 2025-08-31T10:10:20,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf/struc.xyz' 2025-08-31T10:10:20,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl/struc.xyz' 2025-08-31T10:10:20,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn/struc.xyz' 2025-08-31T10:10:20,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh/struc.xyz' 2025-08-31T10:10:20,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno/struc.xyz' 2025-08-31T10:10:20,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco/struc.xyz' 2025-08-31T10:10:20,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof/struc.xyz' 2025-08-31T10:10:20,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf/struc.xyz' 2025-08-31T10:10:20,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc/struc.xyz' 2025-08-31T10:10:20,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco/struc.xyz' 2025-08-31T10:10:20,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn/struc.xyz' 2025-08-31T10:10:20,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno/struc.xyz' 2025-08-31T10:10:20,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl/struc.xyz' 2025-08-31T10:10:20,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn/struc.xyz' 2025-08-31T10:10:20,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof/struc.xyz' 2025-08-31T10:10:20,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc/struc.xyz' 2025-08-31T10:10:20,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo/struc.xyz' 2025-08-31T10:10:20,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh/struc.xyz' 2025-08-31T10:10:20,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs/struc.xyz' 2025-08-31T10:10:20,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene/struc.xyz' 2025-08-31T10:10:20,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol/struc.xyz' 2025-08-31T10:10:20,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n/struc.xyz' 2025-08-31T10:10:20,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2/struc.xyz' 2025-08-31T10:10:20,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h/struc.xyz' 2025-08-31T10:10:20,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4/struc.xyz' 2025-08-31T10:10:20,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o/struc.xyz' 2025-08-31T10:10:20,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn/struc.xyz' 2025-08-31T10:10:20,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh/struc.xyz' 2025-08-31T10:10:20,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2/struc.xyz' 2025-08-31T10:10:20,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl/struc.xyz' 2025-08-31T10:10:20,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3/struc.xyz' 2025-08-31T10:10:20,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no/struc.xyz' 2025-08-31T10:10:20,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2/struc.xyz' 2025-08-31T10:10:20,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o/struc.xyz' 2025-08-31T10:10:20,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2/struc.xyz' 2025-08-31T10:10:20,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3/struc.xyz' 2025-08-31T10:10:21,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo/struc.xyz' 2025-08-31T10:10:21,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs/struc.xyz' 2025-08-31T10:10:21,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of/struc.xyz' 2025-08-31T10:10:21,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh/struc.xyz' 2025-08-31T10:10:21,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane/struc.xyz' 2025-08-31T10:10:21,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene/struc.xyz' 2025-08-31T10:10:21,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p/struc.xyz' 2025-08-31T10:10:21,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2/struc.xyz' 2025-08-31T10:10:21,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4/struc.xyz' 2025-08-31T10:10:21,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3/struc.xyz' 2025-08-31T10:10:21,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane/struc.xyz' 2025-08-31T10:10:21,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene/struc.xyz' 2025-08-31T10:10:21,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne/struc.xyz' 2025-08-31T10:10:21,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s/struc.xyz' 2025-08-31T10:10:21,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2/struc.xyz' 2025-08-31T10:10:21,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o/struc.xyz' 2025-08-31T10:10:21,024 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3/struc.xyz' 2025-08-31T10:10:21,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v/struc.xyz' 2025-08-31T10:10:21,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si/struc.xyz' 2025-08-31T10:10:21,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6/struc.xyz' 2025-08-31T10:10:21,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif/struc.xyz' 2025-08-31T10:10:21,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4/struc.xyz' 2025-08-31T10:10:21,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih/struc.xyz' 2025-08-31T10:10:21,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f/struc.xyz' 2025-08-31T10:10:21,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4/struc.xyz' 2025-08-31T10:10:21,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio/struc.xyz' 2025-08-31T10:10:21,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so/struc.xyz' 2025-08-31T10:10:21,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2/struc.xyz' 2025-08-31T10:10:21,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3/struc.xyz' 2025-08-31T10:10:21,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh/struc.xyz' 2025-08-31T10:10:21,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh/struc.xyz' 2025-08-31T10:10:21,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono/struc.xyz' 2025-08-31T10:10:21,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo/struc.xyz' 2025-08-31T10:10:21,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2/struc.xyz' 2025-08-31T10:10:21,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O/struc.xyz' 2025-08-31T10:10:21,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2/struc.xyz' 2025-08-31T10:10:21,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20/struc.xyz' 2025-08-31T10:10:21,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es/struc.xyz' 2025-08-31T10:10:21,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc/struc.xyz' 2025-08-31T10:10:21,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs/struc.xyz' 2025-08-31T10:10:21,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3/struc.xyz' 2025-08-31T10:10:21,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4/struc.xyz' 2025-08-31T10:10:21,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5/struc.xyz' 2025-08-31T10:10:21,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6/struc.xyz' 2025-08-31T10:10:21,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b/struc.xyz' 2025-08-31T10:10:21,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c/struc.xyz' 2025-08-31T10:10:21,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2/struc.xyz' 2025-08-31T10:10:21,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d/struc.xyz' 2025-08-31T10:10:21,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4/struc.xyz' 2025-08-31T10:10:21,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op/struc.xyz' 2025-08-31T10:10:21,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O/struc.xyz' 2025-08-31T10:10:21,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2/struc.xyz' 2025-08-31T10:10:21,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3/struc.xyz' 2025-08-31T10:10:21,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz' 2025-08-31T10:10:21,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz' 2025-08-31T10:10:21,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz' 2025-08-31T10:10:21,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm/struc.xyz' 2025-08-31T10:10:21,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O/struc.xyz' 2025-08-31T10:10:21,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2/struc.xyz' 2025-08-31T10:10:21,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3/struc.xyz' 2025-08-31T10:10:21,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz' 2025-08-31T10:10:21,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz' 2025-08-31T10:10:21,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5/struc.xyz' 2025-08-31T10:10:21,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6/struc.xyz' 2025-08-31T10:10:21,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o/struc.xyz' 2025-08-31T10:10:21,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1/struc.xyz' 2025-08-31T10:10:21,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2/struc.xyz' 2025-08-31T10:10:21,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3/struc.xyz' 2025-08-31T10:10:21,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4/struc.xyz' 2025-08-31T10:10:21,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5/struc.xyz' 2025-08-31T10:10:21,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6/struc.xyz' 2025-08-31T10:10:21,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7/struc.xyz' 2025-08-31T10:10:21,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8/struc.xyz' 2025-08-31T10:10:21,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9/struc.xyz' 2025-08-31T10:10:21,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1/struc.xyz' 2025-08-31T10:10:21,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o/struc.xyz' 2025-08-31T10:10:21,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2/struc.xyz' 2025-08-31T10:10:21,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o/struc.xyz' 2025-08-31T10:10:21,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3/struc.xyz' 2025-08-31T10:10:21,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o/struc.xyz' 2025-08-31T10:10:21,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4/struc.xyz' 2025-08-31T10:10:21,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o/struc.xyz' 2025-08-31T10:10:21,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5/struc.xyz' 2025-08-31T10:10:21,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o/struc.xyz' 2025-08-31T10:10:21,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6/struc.xyz' 2025-08-31T10:10:21,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o/struc.xyz' 2025-08-31T10:10:21,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7/struc.xyz' 2025-08-31T10:10:21,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o/struc.xyz' 2025-08-31T10:10:21,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8/struc.xyz' 2025-08-31T10:10:21,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o/struc.xyz' 2025-08-31T10:10:21,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9/struc.xyz' 2025-08-31T10:10:21,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o/struc.xyz' 2025-08-31T10:10:21,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22/struc.xyz' 2025-08-31T10:10:21,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2/struc.xyz' 2025-08-31T10:10:21,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s/struc.xyz' 2025-08-31T10:10:21,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz' 2025-08-31T10:10:21,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2/struc.xyz' 2025-08-31T10:10:21,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s/struc.xyz' 2025-08-31T10:10:21,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz' 2025-08-31T10:10:21,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2/struc.xyz' 2025-08-31T10:10:21,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s/struc.xyz' 2025-08-31T10:10:21,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz' 2025-08-31T10:10:21,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2/struc.xyz' 2025-08-31T10:10:21,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3/struc.xyz' 2025-08-31T10:10:21,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz' 2025-08-31T10:10:21,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2/struc.xyz' 2025-08-31T10:10:21,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3/struc.xyz' 2025-08-31T10:10:21,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz' 2025-08-31T10:10:21,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2/struc.xyz' 2025-08-31T10:10:21,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3/struc.xyz' 2025-08-31T10:10:21,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz' 2025-08-31T10:10:21,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2/struc.xyz' 2025-08-31T10:10:21,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3/struc.xyz' 2025-08-31T10:10:21,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz' 2025-08-31T10:10:21,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2/struc.xyz' 2025-08-31T10:10:21,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3/struc.xyz' 2025-08-31T10:10:21,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz' 2025-08-31T10:10:21,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2/struc.xyz' 2025-08-31T10:10:21,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3/struc.xyz' 2025-08-31T10:10:21,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz' 2025-08-31T10:10:21,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2/struc.xyz' 2025-08-31T10:10:21,195 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt' 2025-08-31T10:10:21,196 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt' 2025-08-31T10:10:21,197 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt' 2025-08-31T10:10:21,198 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt' 2025-08-31T10:10:21,200 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt' 2025-08-31T10:10:21,201 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt' 2025-08-31T10:10:21,202 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt' 2025-08-31T10:10:21,203 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76.txt' 2025-08-31T10:10:21,204 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt' 2025-08-31T10:10:21,206 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt' 2025-08-31T10:10:21,207 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt' 2025-08-31T10:10:21,208 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt' 2025-08-31T10:10:21,209 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt' 2025-08-31T10:10:21,210 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt' 2025-08-31T10:10:21,211 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_C60ISO.txt' 2025-08-31T10:10:21,212 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt' 2025-08-31T10:10:21,214 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt' 2025-08-31T10:10:21,215 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt' 2025-08-31T10:10:21,216 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DARC.txt' 2025-08-31T10:10:21,217 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DC13.txt' 2025-08-31T10:10:21,218 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt' 2025-08-31T10:10:21,219 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_FH51.txt' 2025-08-31T10:10:21,221 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt' 2025-08-31T10:10:21,222 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt' 2025-08-31T10:10:21,223 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt' 2025-08-31T10:10:21,224 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt' 2025-08-31T10:10:21,226 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt' 2025-08-31T10:10:21,227 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt' 2025-08-31T10:10:21,228 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt' 2025-08-31T10:10:21,229 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IDISP.txt' 2025-08-31T10:10:21,230 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IL16.txt' 2025-08-31T10:10:21,231 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_INV24.txt' 2025-08-31T10:10:21,233 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt' 2025-08-31T10:10:21,234 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISOL24.txt' 2025-08-31T10:10:21,235 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt' 2025-08-31T10:10:21,237 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MCONF.txt' 2025-08-31T10:10:21,238 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_NBPRC.txt' 2025-08-31T10:10:21,239 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PA26.txt' 2025-08-31T10:10:21,240 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PArel.txt' 2025-08-31T10:10:21,241 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PCONF21.txt' 2025-08-31T10:10:21,243 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt' 2025-08-31T10:10:21,244 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PX13.txt' 2025-08-31T10:10:21,245 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RC21.txt' 2025-08-31T10:10:21,246 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RG18.txt' 2025-08-31T10:10:21,247 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt' 2025-08-31T10:10:21,248 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S22.txt' 2025-08-31T10:10:21,249 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S66.txt' 2025-08-31T10:10:21,250 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SCONF.txt' 2025-08-31T10:10:21,251 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt' 2025-08-31T10:10:21,253 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SLIM05.txt' 2025-08-31T10:10:21,254 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt' 2025-08-31T10:10:21,255 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_UPU23.txt' 2025-08-31T10:10:21,257 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt' 2025-08-31T10:10:21,258 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt' 2025-08-31T10:10:21,259 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt' 2025-08-31T10:10:21,260 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt' 2025-08-31T10:10:21,263 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G/struc.xyz' 2025-08-31T10:10:21,265 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T/struc.xyz' 2025-08-31T10:10:21,267 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-/struc.xyz' 2025-08-31T10:10:21,268 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-/struc.xyz' 2025-08-31T10:10:21,270 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+/struc.xyz' 2025-08-31T10:10:21,271 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg/struc.xyz' 2025-08-31T10:10:21,273 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg/struc.xyz' 2025-08-31T10:10:21,274 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt/struc.xyz' 2025-08-31T10:10:21,276 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-/struc.xyz' 2025-08-31T10:10:21,278 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg/struc.xyz' 2025-08-31T10:10:21,280 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt/struc.xyz' 2025-08-31T10:10:21,281 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt/struc.xyz' 2025-08-31T10:10:21,283 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-/struc.xyz' 2025-08-31T10:10:21,285 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+/struc.xyz' 2025-08-31T10:10:21,286 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG/struc.xyz' 2025-08-31T10:10:21,288 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX/struc.xyz' 2025-08-31T10:10:21,290 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG/struc.xyz' 2025-08-31T10:10:21,291 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT/struc.xyz' 2025-08-31T10:10:21,293 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2/struc.xyz' 2025-08-31T10:10:21,295 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3/struc.xyz' 2025-08-31T10:10:21,297 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4/struc.xyz' 2025-08-31T10:10:21,299 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5/struc.xyz' 2025-08-31T10:10:21,300 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6/struc.xyz' 2025-08-31T10:10:21,302 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7/struc.xyz' 2025-08-31T10:10:21,304 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2/struc.xyz' 2025-08-31T10:10:21,306 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3/struc.xyz' 2025-08-31T10:10:21,307 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4/struc.xyz' 2025-08-31T10:10:21,309 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5/struc.xyz' 2025-08-31T10:10:21,311 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6/struc.xyz' 2025-08-31T10:10:21,312 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7/struc.xyz' 2025-08-31T10:10:21,315 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1/struc.xyz' 2025-08-31T10:10:21,317 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10/struc.xyz' 2025-08-31T10:10:21,318 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A/struc.xyz' 2025-08-31T10:10:21,319 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B/struc.xyz' 2025-08-31T10:10:21,321 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11/struc.xyz' 2025-08-31T10:10:21,322 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A/struc.xyz' 2025-08-31T10:10:21,324 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B/struc.xyz' 2025-08-31T10:10:21,325 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12/struc.xyz' 2025-08-31T10:10:21,327 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A/struc.xyz' 2025-08-31T10:10:21,328 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B/struc.xyz' 2025-08-31T10:10:21,330 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13/struc.xyz' 2025-08-31T10:10:21,331 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A/struc.xyz' 2025-08-31T10:10:21,333 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B/struc.xyz' 2025-08-31T10:10:21,334 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14/struc.xyz' 2025-08-31T10:10:21,336 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A/struc.xyz' 2025-08-31T10:10:21,337 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B/struc.xyz' 2025-08-31T10:10:21,338 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15/struc.xyz' 2025-08-31T10:10:21,340 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A/struc.xyz' 2025-08-31T10:10:21,341 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B/struc.xyz' 2025-08-31T10:10:21,343 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16/struc.xyz' 2025-08-31T10:10:21,345 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A/struc.xyz' 2025-08-31T10:10:21,346 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B/struc.xyz' 2025-08-31T10:10:21,348 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17/struc.xyz' 2025-08-31T10:10:21,349 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A/struc.xyz' 2025-08-31T10:10:21,350 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B/struc.xyz' 2025-08-31T10:10:21,352 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18/struc.xyz' 2025-08-31T10:10:21,353 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A/struc.xyz' 2025-08-31T10:10:21,355 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B/struc.xyz' 2025-08-31T10:10:21,356 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19/struc.xyz' 2025-08-31T10:10:21,358 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A/struc.xyz' 2025-08-31T10:10:21,360 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B/struc.xyz' 2025-08-31T10:10:21,361 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A/struc.xyz' 2025-08-31T10:10:21,363 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B/struc.xyz' 2025-08-31T10:10:21,364 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2/struc.xyz' 2025-08-31T10:10:21,366 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20/struc.xyz' 2025-08-31T10:10:21,368 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A/struc.xyz' 2025-08-31T10:10:21,369 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B/struc.xyz' 2025-08-31T10:10:21,370 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21/struc.xyz' 2025-08-31T10:10:21,372 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A/struc.xyz' 2025-08-31T10:10:21,374 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B/struc.xyz' 2025-08-31T10:10:21,375 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A/struc.xyz' 2025-08-31T10:10:21,377 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B/struc.xyz' 2025-08-31T10:10:21,379 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3/struc.xyz' 2025-08-31T10:10:21,380 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A/struc.xyz' 2025-08-31T10:10:21,382 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B/struc.xyz' 2025-08-31T10:10:21,384 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4/struc.xyz' 2025-08-31T10:10:21,385 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A/struc.xyz' 2025-08-31T10:10:21,387 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B/struc.xyz' 2025-08-31T10:10:21,388 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5/struc.xyz' 2025-08-31T10:10:21,390 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A/struc.xyz' 2025-08-31T10:10:21,391 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B/struc.xyz' 2025-08-31T10:10:21,392 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6/struc.xyz' 2025-08-31T10:10:21,394 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A/struc.xyz' 2025-08-31T10:10:21,395 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B/struc.xyz' 2025-08-31T10:10:21,397 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7/struc.xyz' 2025-08-31T10:10:21,398 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A/struc.xyz' 2025-08-31T10:10:21,399 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B/struc.xyz' 2025-08-31T10:10:21,401 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8/struc.xyz' 2025-08-31T10:10:21,402 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A/struc.xyz' 2025-08-31T10:10:21,404 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B/struc.xyz' 2025-08-31T10:10:21,405 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9/struc.xyz' 2025-08-31T10:10:21,407 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A/struc.xyz' 2025-08-31T10:10:21,408 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B/struc.xyz' 2025-08-31T10:10:21,410 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6/struc.xyz' 2025-08-31T10:10:21,412 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6/struc.xyz' 2025-08-31T10:10:21,413 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6/struc.xyz' 2025-08-31T10:10:21,415 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4/struc.xyz' 2025-08-31T10:10:21,416 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5/struc.xyz' 2025-08-31T10:10:21,418 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6/struc.xyz' 2025-08-31T10:10:21,419 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3/struc.xyz' 2025-08-31T10:10:21,421 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3/struc.xyz' 2025-08-31T10:10:21,422 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3/struc.xyz' 2025-08-31T10:10:21,424 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2/struc.xyz' 2025-08-31T10:10:21,426 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3/struc.xyz' 2025-08-31T10:10:21,428 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+/struc.xyz' 2025-08-31T10:10:21,429 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2/struc.xyz' 2025-08-31T10:10:21,430 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz' 2025-08-31T10:10:21,432 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4/struc.xyz' 2025-08-31T10:10:21,434 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me/struc.xyz' 2025-08-31T10:10:21,435 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c/struc.xyz' 2025-08-31T10:10:21,437 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4/struc.xyz' 2025-08-31T10:10:21,438 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch/struc.xyz' 2025-08-31T10:10:21,439 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8/struc.xyz' 2025-08-31T10:10:21,441 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n/struc.xyz' 2025-08-31T10:10:21,443 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h/struc.xyz' 2025-08-31T10:10:21,445 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me/struc.xyz' 2025-08-31T10:10:21,446 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2/struc.xyz' 2025-08-31T10:10:21,448 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+/struc.xyz' 2025-08-31T10:10:21,449 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2/struc.xyz' 2025-08-31T10:10:21,451 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2/struc.xyz' 2025-08-31T10:10:21,453 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8/struc.xyz' 2025-08-31T10:10:21,455 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be/struc.xyz' 2025-08-31T10:10:21,457 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef/struc.xyz' 2025-08-31T10:10:21,458 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo/struc.xyz' 2025-08-31T10:10:21,460 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca/struc.xyz' 2025-08-31T10:10:21,461 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao/struc.xyz' 2025-08-31T10:10:21,463 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f/struc.xyz' 2025-08-31T10:10:21,464 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h/struc.xyz' 2025-08-31T10:10:21,466 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf/struc.xyz' 2025-08-31T10:10:21,467 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k/struc.xyz' 2025-08-31T10:10:21,469 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf/struc.xyz' 2025-08-31T10:10:21,470 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li/struc.xyz' 2025-08-31T10:10:21,472 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif/struc.xyz' 2025-08-31T10:10:21,474 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio/struc.xyz' 2025-08-31T10:10:21,476 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg/struc.xyz' 2025-08-31T10:10:21,477 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo/struc.xyz' 2025-08-31T10:10:21,479 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs/struc.xyz' 2025-08-31T10:10:21,481 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na/struc.xyz' 2025-08-31T10:10:21,482 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao/struc.xyz' 2025-08-31T10:10:21,484 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o/struc.xyz' 2025-08-31T10:10:21,485 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s/struc.xyz' 2025-08-31T10:10:21,489 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab/struc.xyz' 2025-08-31T10:10:21,490 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac/struc.xyz' 2025-08-31T10:10:21,492 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag/struc.xyz' 2025-08-31T10:10:21,494 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai/struc.xyz' 2025-08-31T10:10:21,496 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak/struc.xyz' 2025-08-31T10:10:21,498 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak/struc.xyz' 2025-08-31T10:10:21,500 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz' 2025-08-31T10:10:21,501 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz' 2025-08-31T10:10:21,503 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby/struc.xyz' 2025-08-31T10:10:21,505 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci/struc.xyz' 2025-08-31T10:10:21,507 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab/struc.xyz' 2025-08-31T10:10:21,509 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae/struc.xyz' 2025-08-31T10:10:21,510 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz' 2025-08-31T10:10:21,512 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah/struc.xyz' 2025-08-31T10:10:21,514 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz' 2025-08-31T10:10:21,516 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad/struc.xyz' 2025-08-31T10:10:21,517 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau/struc.xyz' 2025-08-31T10:10:21,519 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay/struc.xyz' 2025-08-31T10:10:21,521 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz' 2025-08-31T10:10:21,523 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz' 2025-08-31T10:10:21,525 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag/struc.xyz' 2025-08-31T10:10:21,526 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah/struc.xyz' 2025-08-31T10:10:21,528 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai/struc.xyz' 2025-08-31T10:10:21,530 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal/struc.xyz' 2025-08-31T10:10:21,532 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao/struc.xyz' 2025-08-31T10:10:21,534 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai/struc.xyz' 2025-08-31T10:10:21,536 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal/struc.xyz' 2025-08-31T10:10:21,537 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan/struc.xyz' 2025-08-31T10:10:21,539 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap/struc.xyz' 2025-08-31T10:10:21,541 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat/struc.xyz' 2025-08-31T10:10:21,542 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad/struc.xyz' 2025-08-31T10:10:21,544 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal/struc.xyz' 2025-08-31T10:10:21,546 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar/struc.xyz' 2025-08-31T10:10:21,548 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav/struc.xyz' 2025-08-31T10:10:21,549 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz' 2025-08-31T10:10:21,551 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab/struc.xyz' 2025-08-31T10:10:21,553 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac/struc.xyz' 2025-08-31T10:10:21,554 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad/struc.xyz' 2025-08-31T10:10:21,556 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae/struc.xyz' 2025-08-31T10:10:21,558 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag/struc.xyz' 2025-08-31T10:10:21,560 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah/struc.xyz' 2025-08-31T10:10:21,561 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam/struc.xyz' 2025-08-31T10:10:21,563 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz' 2025-08-31T10:10:21,565 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau/struc.xyz' 2025-08-31T10:10:21,567 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav/struc.xyz' 2025-08-31T10:10:21,569 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae/struc.xyz' 2025-08-31T10:10:21,570 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag/struc.xyz' 2025-08-31T10:10:21,572 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz' 2025-08-31T10:10:21,574 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak/struc.xyz' 2025-08-31T10:10:21,576 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz' 2025-08-31T10:10:21,578 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad/struc.xyz' 2025-08-31T10:10:21,580 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae/struc.xyz' 2025-08-31T10:10:21,582 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap/struc.xyz' 2025-08-31T10:10:21,584 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz' 2025-08-31T10:10:21,585 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz' 2025-08-31T10:10:21,587 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan/struc.xyz' 2025-08-31T10:10:21,589 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao/struc.xyz' 2025-08-31T10:10:21,591 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap/struc.xyz' 2025-08-31T10:10:21,593 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas/struc.xyz' 2025-08-31T10:10:21,595 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat/struc.xyz' 2025-08-31T10:10:21,596 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag/struc.xyz' 2025-08-31T10:10:21,598 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav/struc.xyz' 2025-08-31T10:10:21,600 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf/struc.xyz' 2025-08-31T10:10:21,602 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm/struc.xyz' 2025-08-31T10:10:21,604 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo/struc.xyz' 2025-08-31T10:10:21,606 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab/struc.xyz' 2025-08-31T10:10:21,607 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal/struc.xyz' 2025-08-31T10:10:21,609 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan/struc.xyz' 2025-08-31T10:10:21,611 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar/struc.xyz' 2025-08-31T10:10:21,613 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz' 2025-08-31T10:10:21,615 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab/struc.xyz' 2025-08-31T10:10:21,617 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac/struc.xyz' 2025-08-31T10:10:21,618 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad/struc.xyz' 2025-08-31T10:10:21,620 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae/struc.xyz' 2025-08-31T10:10:21,622 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz' 2025-08-31T10:10:21,623 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad/struc.xyz' 2025-08-31T10:10:21,625 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf/struc.xyz' 2025-08-31T10:10:21,626 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah/struc.xyz' 2025-08-31T10:10:21,628 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak/struc.xyz' 2025-08-31T10:10:21,630 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar/struc.xyz' 2025-08-31T10:10:21,632 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab/struc.xyz' 2025-08-31T10:10:21,633 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag/struc.xyz' 2025-08-31T10:10:21,635 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah/struc.xyz' 2025-08-31T10:10:21,637 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal/struc.xyz' 2025-08-31T10:10:21,638 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq/struc.xyz' 2025-08-31T10:10:21,640 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac/struc.xyz' 2025-08-31T10:10:21,642 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz' 2025-08-31T10:10:21,644 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag/struc.xyz' 2025-08-31T10:10:21,646 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah/struc.xyz' 2025-08-31T10:10:21,649 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao/struc.xyz' 2025-08-31T10:10:21,650 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab/struc.xyz' 2025-08-31T10:10:21,652 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag/struc.xyz' 2025-08-31T10:10:21,654 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah/struc.xyz' 2025-08-31T10:10:21,656 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan/struc.xyz' 2025-08-31T10:10:21,658 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar/struc.xyz' 2025-08-31T10:10:21,660 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad/struc.xyz' 2025-08-31T10:10:21,662 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz' 2025-08-31T10:10:21,664 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah/struc.xyz' 2025-08-31T10:10:21,666 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz' 2025-08-31T10:10:21,667 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak/struc.xyz' 2025-08-31T10:10:21,671 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5/struc.xyz' 2025-08-31T10:10:21,672 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6/struc.xyz' 2025-08-31T10:10:21,674 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8/struc.xyz' 2025-08-31T10:10:21,676 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH/struc.xyz' 2025-08-31T10:10:21,677 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4/struc.xyz' 2025-08-31T10:10:21,679 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2/struc.xyz' 2025-08-31T10:10:21,680 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O/struc.xyz' 2025-08-31T10:10:21,682 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S/struc.xyz' 2025-08-31T10:10:21,684 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS/struc.xyz' 2025-08-31T10:10:21,685 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H/struc.xyz' 2025-08-31T10:10:21,687 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2/struc.xyz' 2025-08-31T10:10:21,688 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH/struc.xyz' 2025-08-31T10:10:21,690 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2/struc.xyz' 2025-08-31T10:10:21,692 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3/struc.xyz' 2025-08-31T10:10:21,693 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O/struc.xyz' 2025-08-31T10:10:21,695 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2/struc.xyz' 2025-08-31T10:10:21,696 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3/struc.xyz' 2025-08-31T10:10:21,697 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01/struc.xyz' 2025-08-31T10:10:21,699 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02/struc.xyz' 2025-08-31T10:10:21,700 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03/struc.xyz' 2025-08-31T10:10:21,702 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04/struc.xyz' 2025-08-31T10:10:21,703 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05/struc.xyz' 2025-08-31T10:10:21,705 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06/struc.xyz' 2025-08-31T10:10:21,706 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07/struc.xyz' 2025-08-31T10:10:21,708 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08/struc.xyz' 2025-08-31T10:10:21,709 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09/struc.xyz' 2025-08-31T10:10:21,711 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10/struc.xyz' 2025-08-31T10:10:21,712 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11/struc.xyz' 2025-08-31T10:10:21,714 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12/struc.xyz' 2025-08-31T10:10:21,715 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13/struc.xyz' 2025-08-31T10:10:21,717 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14/struc.xyz' 2025-08-31T10:10:21,718 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15/struc.xyz' 2025-08-31T10:10:21,720 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16/struc.xyz' 2025-08-31T10:10:21,721 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17/struc.xyz' 2025-08-31T10:10:21,723 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18/struc.xyz' 2025-08-31T10:10:21,724 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19/struc.xyz' 2025-08-31T10:10:21,726 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20/struc.xyz' 2025-08-31T10:10:21,727 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21/struc.xyz' 2025-08-31T10:10:21,729 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22/struc.xyz' 2025-08-31T10:10:21,730 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4/struc.xyz' 2025-08-31T10:10:21,732 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5/struc.xyz' 2025-08-31T10:10:21,733 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts/struc.xyz' 2025-08-31T10:10:21,735 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7/struc.xyz' 2025-08-31T10:10:21,736 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts/struc.xyz' 2025-08-31T10:10:21,738 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3/struc.xyz' 2025-08-31T10:10:21,739 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl/struc.xyz' 2025-08-31T10:10:21,741 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f/struc.xyz' 2025-08-31T10:10:21,742 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts/struc.xyz' 2025-08-31T10:10:21,744 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh/struc.xyz' 2025-08-31T10:10:21,745 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl/struc.xyz' 2025-08-31T10:10:21,747 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-/struc.xyz' 2025-08-31T10:10:21,748 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp/struc.xyz' 2025-08-31T10:10:21,750 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts/struc.xyz' 2025-08-31T10:10:21,751 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf/struc.xyz' 2025-08-31T10:10:21,753 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co/struc.xyz' 2025-08-31T10:10:21,754 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f/struc.xyz' 2025-08-31T10:10:21,756 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-/struc.xyz' 2025-08-31T10:10:21,757 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2/struc.xyz' 2025-08-31T10:10:21,759 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1/struc.xyz' 2025-08-31T10:10:21,761 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2/struc.xyz' 2025-08-31T10:10:21,762 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts/struc.xyz' 2025-08-31T10:10:21,764 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp/struc.xyz' 2025-08-31T10:10:21,765 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts/struc.xyz' 2025-08-31T10:10:21,767 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h/struc.xyz' 2025-08-31T10:10:21,768 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts/struc.xyz' 2025-08-31T10:10:21,770 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl/struc.xyz' 2025-08-31T10:10:21,772 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts/struc.xyz' 2025-08-31T10:10:21,773 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn/struc.xyz' 2025-08-31T10:10:21,775 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts/struc.xyz' 2025-08-31T10:10:21,777 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco/struc.xyz' 2025-08-31T10:10:21,778 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots/struc.xyz' 2025-08-31T10:10:21,780 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf/struc.xyz' 2025-08-31T10:10:21,781 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts/struc.xyz' 2025-08-31T10:10:21,783 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts/struc.xyz' 2025-08-31T10:10:21,785 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts/struc.xyz' 2025-08-31T10:10:21,786 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2/struc.xyz' 2025-08-31T10:10:21,788 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts/struc.xyz' 2025-08-31T10:10:21,790 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc/struc.xyz' 2025-08-31T10:10:21,791 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1/struc.xyz' 2025-08-31T10:10:21,793 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2/struc.xyz' 2025-08-31T10:10:21,794 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts/struc.xyz' 2025-08-31T10:10:21,796 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2/struc.xyz' 2025-08-31T10:10:21,797 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o/struc.xyz' 2025-08-31T10:10:21,799 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts/struc.xyz' 2025-08-31T10:10:21,800 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh/struc.xyz' 2025-08-31T10:10:21,802 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-/struc.xyz' 2025-08-31T10:10:21,805 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5/struc.xyz' 2025-08-31T10:10:21,807 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6/struc.xyz' 2025-08-31T10:10:21,808 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8/struc.xyz' 2025-08-31T10:10:21,810 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH/struc.xyz' 2025-08-31T10:10:21,811 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4/struc.xyz' 2025-08-31T10:10:21,813 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2/struc.xyz' 2025-08-31T10:10:21,815 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O/struc.xyz' 2025-08-31T10:10:21,816 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S/struc.xyz' 2025-08-31T10:10:21,818 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS/struc.xyz' 2025-08-31T10:10:21,819 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H/struc.xyz' 2025-08-31T10:10:21,821 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2/struc.xyz' 2025-08-31T10:10:21,823 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH/struc.xyz' 2025-08-31T10:10:21,824 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2/struc.xyz' 2025-08-31T10:10:21,826 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3/struc.xyz' 2025-08-31T10:10:21,827 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O/struc.xyz' 2025-08-31T10:10:21,829 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2/struc.xyz' 2025-08-31T10:10:21,831 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3/struc.xyz' 2025-08-31T10:10:21,832 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01/struc.xyz' 2025-08-31T10:10:21,834 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02/struc.xyz' 2025-08-31T10:10:21,836 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03/struc.xyz' 2025-08-31T10:10:21,837 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04/struc.xyz' 2025-08-31T10:10:21,839 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05/struc.xyz' 2025-08-31T10:10:21,840 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06/struc.xyz' 2025-08-31T10:10:21,842 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07/struc.xyz' 2025-08-31T10:10:21,843 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08/struc.xyz' 2025-08-31T10:10:21,845 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09/struc.xyz' 2025-08-31T10:10:21,846 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10/struc.xyz' 2025-08-31T10:10:21,848 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11/struc.xyz' 2025-08-31T10:10:21,849 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12/struc.xyz' 2025-08-31T10:10:21,851 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13/struc.xyz' 2025-08-31T10:10:21,852 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14/struc.xyz' 2025-08-31T10:10:21,854 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15/struc.xyz' 2025-08-31T10:10:21,855 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16/struc.xyz' 2025-08-31T10:10:21,857 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17/struc.xyz' 2025-08-31T10:10:21,858 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18/struc.xyz' 2025-08-31T10:10:21,860 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19/struc.xyz' 2025-08-31T10:10:21,861 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20/struc.xyz' 2025-08-31T10:10:21,863 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21/struc.xyz' 2025-08-31T10:10:21,864 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22/struc.xyz' 2025-08-31T10:10:21,866 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4/struc.xyz' 2025-08-31T10:10:21,867 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5/struc.xyz' 2025-08-31T10:10:21,869 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts/struc.xyz' 2025-08-31T10:10:21,870 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7/struc.xyz' 2025-08-31T10:10:21,872 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts/struc.xyz' 2025-08-31T10:10:21,874 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3/struc.xyz' 2025-08-31T10:10:21,875 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl/struc.xyz' 2025-08-31T10:10:21,877 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f/struc.xyz' 2025-08-31T10:10:21,878 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts/struc.xyz' 2025-08-31T10:10:21,880 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh/struc.xyz' 2025-08-31T10:10:21,881 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl/struc.xyz' 2025-08-31T10:10:21,883 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-/struc.xyz' 2025-08-31T10:10:21,884 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp/struc.xyz' 2025-08-31T10:10:21,886 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts/struc.xyz' 2025-08-31T10:10:21,888 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf/struc.xyz' 2025-08-31T10:10:21,889 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co/struc.xyz' 2025-08-31T10:10:21,891 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f/struc.xyz' 2025-08-31T10:10:21,892 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-/struc.xyz' 2025-08-31T10:10:21,894 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2/struc.xyz' 2025-08-31T10:10:21,896 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz' 2025-08-31T10:10:21,897 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz' 2025-08-31T10:10:21,899 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts/struc.xyz' 2025-08-31T10:10:21,901 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp/struc.xyz' 2025-08-31T10:10:21,902 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts/struc.xyz' 2025-08-31T10:10:21,904 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h/struc.xyz' 2025-08-31T10:10:21,906 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts/struc.xyz' 2025-08-31T10:10:21,907 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl/struc.xyz' 2025-08-31T10:10:21,909 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts/struc.xyz' 2025-08-31T10:10:21,910 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn/struc.xyz' 2025-08-31T10:10:21,912 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts/struc.xyz' 2025-08-31T10:10:21,913 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco/struc.xyz' 2025-08-31T10:10:21,915 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots/struc.xyz' 2025-08-31T10:10:21,916 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf/struc.xyz' 2025-08-31T10:10:21,917 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts/struc.xyz' 2025-08-31T10:10:21,919 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts/struc.xyz' 2025-08-31T10:10:21,920 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts/struc.xyz' 2025-08-31T10:10:21,922 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2/struc.xyz' 2025-08-31T10:10:21,923 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts/struc.xyz' 2025-08-31T10:10:21,925 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc/struc.xyz' 2025-08-31T10:10:21,926 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz' 2025-08-31T10:10:21,928 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz' 2025-08-31T10:10:21,929 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts/struc.xyz' 2025-08-31T10:10:21,930 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2/struc.xyz' 2025-08-31T10:10:21,932 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o/struc.xyz' 2025-08-31T10:10:21,933 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts/struc.xyz' 2025-08-31T10:10:21,935 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh/struc.xyz' 2025-08-31T10:10:21,936 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-/struc.xyz' 2025-08-31T10:10:21,938 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1/struc.xyz' 2025-08-31T10:10:21,940 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10/struc.xyz' 2025-08-31T10:10:21,941 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2/struc.xyz' 2025-08-31T10:10:21,943 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3/struc.xyz' 2025-08-31T10:10:21,945 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4/struc.xyz' 2025-08-31T10:10:21,946 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5/struc.xyz' 2025-08-31T10:10:21,948 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6/struc.xyz' 2025-08-31T10:10:21,950 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7/struc.xyz' 2025-08-31T10:10:21,951 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8/struc.xyz' 2025-08-31T10:10:21,953 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9/struc.xyz' 2025-08-31T10:10:21,954 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1/struc.xyz' 2025-08-31T10:10:21,956 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10/struc.xyz' 2025-08-31T10:10:21,958 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2/struc.xyz' 2025-08-31T10:10:21,959 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3/struc.xyz' 2025-08-31T10:10:21,961 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4/struc.xyz' 2025-08-31T10:10:21,963 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5/struc.xyz' 2025-08-31T10:10:21,964 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6/struc.xyz' 2025-08-31T10:10:21,966 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7/struc.xyz' 2025-08-31T10:10:21,968 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8/struc.xyz' 2025-08-31T10:10:21,969 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9/struc.xyz' 2025-08-31T10:10:21,972 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r/struc.xyz' 2025-08-31T10:10:21,974 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r/struc.xyz' 2025-08-31T10:10:21,975 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts/struc.xyz' 2025-08-31T10:10:21,977 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r/struc.xyz' 2025-08-31T10:10:21,979 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts/struc.xyz' 2025-08-31T10:10:21,980 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r/struc.xyz' 2025-08-31T10:10:21,982 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts/struc.xyz' 2025-08-31T10:10:21,984 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r/struc.xyz' 2025-08-31T10:10:21,985 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts/struc.xyz' 2025-08-31T10:10:21,987 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r/struc.xyz' 2025-08-31T10:10:21,988 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts/struc.xyz' 2025-08-31T10:10:21,990 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts/struc.xyz' 2025-08-31T10:10:21,991 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r/struc.xyz' 2025-08-31T10:10:21,993 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts/struc.xyz' 2025-08-31T10:10:21,995 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts/struc.xyz' 2025-08-31T10:10:21,996 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r/struc.xyz' 2025-08-31T10:10:21,998 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts/struc.xyz' 2025-08-31T10:10:21,999 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz' 2025-08-31T10:10:22,001 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz' 2025-08-31T10:10:22,002 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz' 2025-08-31T10:10:22,004 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz' 2025-08-31T10:10:22,005 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz' 2025-08-31T10:10:22,007 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4/struc.xyz' 2025-08-31T10:10:22,008 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1/struc.xyz' 2025-08-31T10:10:22,010 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2/struc.xyz' 2025-08-31T10:10:22,011 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3/struc.xyz' 2025-08-31T10:10:22,013 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4/struc.xyz' 2025-08-31T10:10:22,014 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5/struc.xyz' 2025-08-31T10:10:22,016 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6/struc.xyz' 2025-08-31T10:10:22,017 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7/struc.xyz' 2025-08-31T10:10:22,019 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8/struc.xyz' 2025-08-31T10:10:22,020 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9/struc.xyz' 2025-08-31T10:10:22,022 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a/struc.xyz' 2025-08-31T10:10:22,024 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a/struc.xyz' 2025-08-31T10:10:22,025 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a/struc.xyz' 2025-08-31T10:10:22,027 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a/struc.xyz' 2025-08-31T10:10:22,028 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a/struc.xyz' 2025-08-31T10:10:22,030 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a/struc.xyz' 2025-08-31T10:10:22,032 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a/struc.xyz' 2025-08-31T10:10:22,033 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a/struc.xyz' 2025-08-31T10:10:22,035 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a/struc.xyz' 2025-08-31T10:10:22,037 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz' 2025-08-31T10:10:22,038 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz' 2025-08-31T10:10:22,040 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene/struc.xyz' 2025-08-31T10:10:22,042 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene/struc.xyz' 2025-08-31T10:10:22,043 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz' 2025-08-31T10:10:22,045 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene/struc.xyz' 2025-08-31T10:10:22,047 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene/struc.xyz' 2025-08-31T10:10:22,048 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1/struc.xyz' 2025-08-31T10:10:22,050 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10/struc.xyz' 2025-08-31T10:10:22,052 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11/struc.xyz' 2025-08-31T10:10:22,053 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2/struc.xyz' 2025-08-31T10:10:22,055 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3/struc.xyz' 2025-08-31T10:10:22,056 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4/struc.xyz' 2025-08-31T10:10:22,058 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5/struc.xyz' 2025-08-31T10:10:22,059 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6/struc.xyz' 2025-08-31T10:10:22,061 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7/struc.xyz' 2025-08-31T10:10:22,062 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8/struc.xyz' 2025-08-31T10:10:22,064 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9/struc.xyz' 2025-08-31T10:10:22,065 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz' 2025-08-31T10:10:22,067 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz' 2025-08-31T10:10:22,070 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC/struc.xyz' 2025-08-31T10:10:22,071 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz' 2025-08-31T10:10:22,072 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz' 2025-08-31T10:10:22,074 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS/struc.xyz' 2025-08-31T10:10:22,076 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti/struc.xyz' 2025-08-31T10:10:22,077 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn/struc.xyz' 2025-08-31T10:10:22,079 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl/struc.xyz' 2025-08-31T10:10:22,080 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz' 2025-08-31T10:10:22,082 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz' 2025-08-31T10:10:22,084 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz' 2025-08-31T10:10:22,085 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz' 2025-08-31T10:10:22,087 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS/struc.xyz' 2025-08-31T10:10:22,088 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis/struc.xyz' 2025-08-31T10:10:22,090 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans/struc.xyz' 2025-08-31T10:10:22,091 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl/struc.xyz' 2025-08-31T10:10:22,093 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st/struc.xyz' 2025-08-31T10:10:22,094 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz' 2025-08-31T10:10:22,096 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz' 2025-08-31T10:10:22,098 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz' 2025-08-31T10:10:22,099 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz' 2025-08-31T10:10:22,101 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2/struc.xyz' 2025-08-31T10:10:22,103 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis/struc.xyz' 2025-08-31T10:10:22,105 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans/struc.xyz' 2025-08-31T10:10:22,106 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2/struc.xyz' 2025-08-31T10:10:22,107 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis/struc.xyz' 2025-08-31T10:10:22,109 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans/struc.xyz' 2025-08-31T10:10:22,110 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl/struc.xyz' 2025-08-31T10:10:22,112 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st/struc.xyz' 2025-08-31T10:10:22,114 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz' 2025-08-31T10:10:22,115 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st/struc.xyz' 2025-08-31T10:10:22,117 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz' 2025-08-31T10:10:22,119 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz' 2025-08-31T10:10:22,120 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1/struc.xyz' 2025-08-31T10:10:22,122 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz' 2025-08-31T10:10:22,123 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz' 2025-08-31T10:10:22,125 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz' 2025-08-31T10:10:22,126 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0/struc.xyz' 2025-08-31T10:10:22,128 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120/struc.xyz' 2025-08-31T10:10:22,129 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180/struc.xyz' 2025-08-31T10:10:22,131 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60/struc.xyz' 2025-08-31T10:10:22,133 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1/struc.xyz' 2025-08-31T10:10:22,135 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2/struc.xyz' 2025-08-31T10:10:22,136 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6/struc.xyz' 2025-08-31T10:10:22,138 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3/struc.xyz' 2025-08-31T10:10:22,139 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4/struc.xyz' 2025-08-31T10:10:22,141 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5/struc.xyz' 2025-08-31T10:10:22,142 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4/struc.xyz' 2025-08-31T10:10:22,144 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1/struc.xyz' 2025-08-31T10:10:22,145 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10/struc.xyz' 2025-08-31T10:10:22,147 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11/struc.xyz' 2025-08-31T10:10:22,149 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12/struc.xyz' 2025-08-31T10:10:22,150 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13/struc.xyz' 2025-08-31T10:10:22,152 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14/struc.xyz' 2025-08-31T10:10:22,154 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15/struc.xyz' 2025-08-31T10:10:22,155 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2/struc.xyz' 2025-08-31T10:10:22,157 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3/struc.xyz' 2025-08-31T10:10:22,159 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4/struc.xyz' 2025-08-31T10:10:22,161 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5/struc.xyz' 2025-08-31T10:10:22,162 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6/struc.xyz' 2025-08-31T10:10:22,164 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7/struc.xyz' 2025-08-31T10:10:22,166 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8/struc.xyz' 2025-08-31T10:10:22,167 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9/struc.xyz' 2025-08-31T10:10:22,169 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1/struc.xyz' 2025-08-31T10:10:22,171 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10/struc.xyz' 2025-08-31T10:10:22,172 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11/struc.xyz' 2025-08-31T10:10:22,174 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12/struc.xyz' 2025-08-31T10:10:22,176 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13/struc.xyz' 2025-08-31T10:10:22,177 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14/struc.xyz' 2025-08-31T10:10:22,179 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15/struc.xyz' 2025-08-31T10:10:22,181 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16/struc.xyz' 2025-08-31T10:10:22,183 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2/struc.xyz' 2025-08-31T10:10:22,184 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3/struc.xyz' 2025-08-31T10:10:22,186 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4/struc.xyz' 2025-08-31T10:10:22,187 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5/struc.xyz' 2025-08-31T10:10:22,189 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6/struc.xyz' 2025-08-31T10:10:22,191 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7/struc.xyz' 2025-08-31T10:10:22,193 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8/struc.xyz' 2025-08-31T10:10:22,195 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9/struc.xyz' 2025-08-31T10:10:22,198 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1/struc.xyz' 2025-08-31T10:10:22,199 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10/struc.xyz' 2025-08-31T10:10:22,201 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11/struc.xyz' 2025-08-31T10:10:22,202 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12/struc.xyz' 2025-08-31T10:10:22,204 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13/struc.xyz' 2025-08-31T10:10:22,205 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14/struc.xyz' 2025-08-31T10:10:22,207 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15/struc.xyz' 2025-08-31T10:10:22,208 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16/struc.xyz' 2025-08-31T10:10:22,210 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17/struc.xyz' 2025-08-31T10:10:22,211 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18/struc.xyz' 2025-08-31T10:10:22,213 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19/struc.xyz' 2025-08-31T10:10:22,214 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2/struc.xyz' 2025-08-31T10:10:22,216 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20/struc.xyz' 2025-08-31T10:10:22,217 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21/struc.xyz' 2025-08-31T10:10:22,219 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22/struc.xyz' 2025-08-31T10:10:22,220 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23/struc.xyz' 2025-08-31T10:10:22,222 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24/struc.xyz' 2025-08-31T10:10:22,224 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25/struc.xyz' 2025-08-31T10:10:22,225 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26/struc.xyz' 2025-08-31T10:10:22,227 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27/struc.xyz' 2025-08-31T10:10:22,228 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28/struc.xyz' 2025-08-31T10:10:22,230 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29/struc.xyz' 2025-08-31T10:10:22,231 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3/struc.xyz' 2025-08-31T10:10:22,233 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30/struc.xyz' 2025-08-31T10:10:22,235 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31/struc.xyz' 2025-08-31T10:10:22,236 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32/struc.xyz' 2025-08-31T10:10:22,238 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33/struc.xyz' 2025-08-31T10:10:22,239 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34/struc.xyz' 2025-08-31T10:10:22,241 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35/struc.xyz' 2025-08-31T10:10:22,242 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36/struc.xyz' 2025-08-31T10:10:22,244 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37/struc.xyz' 2025-08-31T10:10:22,245 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38/struc.xyz' 2025-08-31T10:10:22,247 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39/struc.xyz' 2025-08-31T10:10:22,249 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4/struc.xyz' 2025-08-31T10:10:22,250 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40/struc.xyz' 2025-08-31T10:10:22,252 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41/struc.xyz' 2025-08-31T10:10:22,254 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42/struc.xyz' 2025-08-31T10:10:22,255 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43/struc.xyz' 2025-08-31T10:10:22,257 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44/struc.xyz' 2025-08-31T10:10:22,258 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45/struc.xyz' 2025-08-31T10:10:22,260 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46/struc.xyz' 2025-08-31T10:10:22,262 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47/struc.xyz' 2025-08-31T10:10:22,263 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48/struc.xyz' 2025-08-31T10:10:22,265 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49/struc.xyz' 2025-08-31T10:10:22,267 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5/struc.xyz' 2025-08-31T10:10:22,268 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50/struc.xyz' 2025-08-31T10:10:22,270 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51/struc.xyz' 2025-08-31T10:10:22,271 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52/struc.xyz' 2025-08-31T10:10:22,273 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53/struc.xyz' 2025-08-31T10:10:22,274 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54/struc.xyz' 2025-08-31T10:10:22,276 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55/struc.xyz' 2025-08-31T10:10:22,277 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56/struc.xyz' 2025-08-31T10:10:22,279 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57/struc.xyz' 2025-08-31T10:10:22,280 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58/struc.xyz' 2025-08-31T10:10:22,282 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59/struc.xyz' 2025-08-31T10:10:22,283 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6/struc.xyz' 2025-08-31T10:10:22,285 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60/struc.xyz' 2025-08-31T10:10:22,286 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61/struc.xyz' 2025-08-31T10:10:22,288 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62/struc.xyz' 2025-08-31T10:10:22,289 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63/struc.xyz' 2025-08-31T10:10:22,291 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64/struc.xyz' 2025-08-31T10:10:22,292 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65/struc.xyz' 2025-08-31T10:10:22,294 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7/struc.xyz' 2025-08-31T10:10:22,295 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8/struc.xyz' 2025-08-31T10:10:22,297 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9/struc.xyz' 2025-08-31T10:10:22,299 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1/struc.xyz' 2025-08-31T10:10:22,301 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10/struc.xyz' 2025-08-31T10:10:22,303 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2/struc.xyz' 2025-08-31T10:10:22,305 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3/struc.xyz' 2025-08-31T10:10:22,306 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4/struc.xyz' 2025-08-31T10:10:22,308 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5/struc.xyz' 2025-08-31T10:10:22,310 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6/struc.xyz' 2025-08-31T10:10:22,312 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7/struc.xyz' 2025-08-31T10:10:22,314 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8/struc.xyz' 2025-08-31T10:10:22,316 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9/struc.xyz' 2025-08-31T10:10:22,318 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL/struc.xyz' 2025-08-31T10:10:22,320 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A/struc.xyz' 2025-08-31T10:10:22,321 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B/struc.xyz' 2025-08-31T10:10:22,323 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N/struc.xyz' 2025-08-31T10:10:22,325 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A/struc.xyz' 2025-08-31T10:10:22,326 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B/struc.xyz' 2025-08-31T10:10:22,328 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O/struc.xyz' 2025-08-31T10:10:22,329 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A/struc.xyz' 2025-08-31T10:10:22,331 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B/struc.xyz' 2025-08-31T10:10:22,333 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL/struc.xyz' 2025-08-31T10:10:22,334 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A/struc.xyz' 2025-08-31T10:10:22,336 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B/struc.xyz' 2025-08-31T10:10:22,337 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N/struc.xyz' 2025-08-31T10:10:22,339 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A/struc.xyz' 2025-08-31T10:10:22,341 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B/struc.xyz' 2025-08-31T10:10:22,342 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O/struc.xyz' 2025-08-31T10:10:22,344 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A/struc.xyz' 2025-08-31T10:10:22,346 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B/struc.xyz' 2025-08-31T10:10:22,347 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL/struc.xyz' 2025-08-31T10:10:22,348 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A/struc.xyz' 2025-08-31T10:10:22,350 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B/struc.xyz' 2025-08-31T10:10:22,352 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N/struc.xyz' 2025-08-31T10:10:22,353 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A/struc.xyz' 2025-08-31T10:10:22,355 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B/struc.xyz' 2025-08-31T10:10:22,356 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O/struc.xyz' 2025-08-31T10:10:22,357 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A/struc.xyz' 2025-08-31T10:10:22,359 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B/struc.xyz' 2025-08-31T10:10:22,360 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL/struc.xyz' 2025-08-31T10:10:22,362 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A/struc.xyz' 2025-08-31T10:10:22,363 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B/struc.xyz' 2025-08-31T10:10:22,365 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N/struc.xyz' 2025-08-31T10:10:22,366 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A/struc.xyz' 2025-08-31T10:10:22,368 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B/struc.xyz' 2025-08-31T10:10:22,370 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O/struc.xyz' 2025-08-31T10:10:22,371 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A/struc.xyz' 2025-08-31T10:10:22,373 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B/struc.xyz' 2025-08-31T10:10:22,375 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20/struc.xyz' 2025-08-31T10:10:22,377 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22/struc.xyz' 2025-08-31T10:10:22,378 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25/struc.xyz' 2025-08-31T10:10:22,380 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26/struc.xyz' 2025-08-31T10:10:22,381 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40/struc.xyz' 2025-08-31T10:10:22,383 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43/struc.xyz' 2025-08-31T10:10:22,385 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44/struc.xyz' 2025-08-31T10:10:22,386 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45/struc.xyz' 2025-08-31T10:10:22,388 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46/struc.xyz' 2025-08-31T10:10:22,389 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47/struc.xyz' 2025-08-31T10:10:22,391 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48/struc.xyz' 2025-08-31T10:10:22,393 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49/struc.xyz' 2025-08-31T10:10:22,394 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51/struc.xyz' 2025-08-31T10:10:22,396 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52/struc.xyz' 2025-08-31T10:10:22,398 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56/struc.xyz' 2025-08-31T10:10:22,399 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60/struc.xyz' 2025-08-31T10:10:22,401 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20/struc.xyz' 2025-08-31T10:10:22,403 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21/struc.xyz' 2025-08-31T10:10:22,405 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22/struc.xyz' 2025-08-31T10:10:22,406 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25/struc.xyz' 2025-08-31T10:10:22,408 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26/struc.xyz' 2025-08-31T10:10:22,410 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28/struc.xyz' 2025-08-31T10:10:22,411 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29/struc.xyz' 2025-08-31T10:10:22,413 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40/struc.xyz' 2025-08-31T10:10:22,416 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43/struc.xyz' 2025-08-31T10:10:22,417 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44/struc.xyz' 2025-08-31T10:10:22,419 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45/struc.xyz' 2025-08-31T10:10:22,421 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46/struc.xyz' 2025-08-31T10:10:22,423 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47/struc.xyz' 2025-08-31T10:10:22,424 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48/struc.xyz' 2025-08-31T10:10:22,426 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49/struc.xyz' 2025-08-31T10:10:22,428 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51/struc.xyz' 2025-08-31T10:10:22,430 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52/struc.xyz' 2025-08-31T10:10:22,432 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56/struc.xyz' 2025-08-31T10:10:22,434 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57/struc.xyz' 2025-08-31T10:10:22,435 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60/struc.xyz' 2025-08-31T10:10:22,438 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22/struc.xyz' 2025-08-31T10:10:22,439 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A/struc.xyz' 2025-08-31T10:10:22,441 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B/struc.xyz' 2025-08-31T10:10:22,443 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23/struc.xyz' 2025-08-31T10:10:22,445 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A/struc.xyz' 2025-08-31T10:10:22,447 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B/struc.xyz' 2025-08-31T10:10:22,449 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24/struc.xyz' 2025-08-31T10:10:22,450 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A/struc.xyz' 2025-08-31T10:10:22,452 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B/struc.xyz' 2025-08-31T10:10:22,454 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25/struc.xyz' 2025-08-31T10:10:22,456 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A/struc.xyz' 2025-08-31T10:10:22,457 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B/struc.xyz' 2025-08-31T10:10:22,459 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26/struc.xyz' 2025-08-31T10:10:22,461 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A/struc.xyz' 2025-08-31T10:10:22,462 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B/struc.xyz' 2025-08-31T10:10:22,464 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27/struc.xyz' 2025-08-31T10:10:22,465 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A/struc.xyz' 2025-08-31T10:10:22,467 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B/struc.xyz' 2025-08-31T10:10:22,469 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1/struc.xyz' 2025-08-31T10:10:22,471 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10/struc.xyz' 2025-08-31T10:10:22,473 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X/struc.xyz' 2025-08-31T10:10:22,475 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2/struc.xyz' 2025-08-31T10:10:22,476 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3/struc.xyz' 2025-08-31T10:10:22,478 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4/struc.xyz' 2025-08-31T10:10:22,480 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5/struc.xyz' 2025-08-31T10:10:22,481 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6/struc.xyz' 2025-08-31T10:10:22,483 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7/struc.xyz' 2025-08-31T10:10:22,485 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X/struc.xyz' 2025-08-31T10:10:22,487 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8/struc.xyz' 2025-08-31T10:10:22,488 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X/struc.xyz' 2025-08-31T10:10:22,490 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9/struc.xyz' 2025-08-31T10:10:22,492 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X/struc.xyz' 2025-08-31T10:10:22,493 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene/struc.xyz' 2025-08-31T10:10:22,495 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene/struc.xyz' 2025-08-31T10:10:22,497 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene/struc.xyz' 2025-08-31T10:10:22,498 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene/struc.xyz' 2025-08-31T10:10:22,500 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine/struc.xyz' 2025-08-31T10:10:22,502 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane/struc.xyz' 2025-08-31T10:10:22,504 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein/struc.xyz' 2025-08-31T10:10:22,505 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH/struc.xyz' 2025-08-31T10:10:22,508 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip/struc.xyz' 2025-08-31T10:10:22,509 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6/struc.xyz' 2025-08-31T10:10:22,511 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6/struc.xyz' 2025-08-31T10:10:22,512 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2/struc.xyz' 2025-08-31T10:10:22,514 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL/struc.xyz' 2025-08-31T10:10:22,515 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz' 2025-08-31T10:10:22,517 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz' 2025-08-31T10:10:22,518 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35/struc.xyz' 2025-08-31T10:10:22,520 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36/struc.xyz' 2025-08-31T10:10:22,521 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35/struc.xyz' 2025-08-31T10:10:22,523 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36/struc.xyz' 2025-08-31T10:10:22,524 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be/struc.xyz' 2025-08-31T10:10:22,526 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4/struc.xyz' 2025-08-31T10:10:22,527 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl/struc.xyz' 2025-08-31T10:10:22,529 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage/struc.xyz' 2025-08-31T10:10:22,531 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2/struc.xyz' 2025-08-31T10:10:22,532 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4/struc.xyz' 2025-08-31T10:10:22,534 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1/struc.xyz' 2025-08-31T10:10:22,536 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2/struc.xyz' 2025-08-31T10:10:22,537 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2/struc.xyz' 2025-08-31T10:10:22,539 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen/struc.xyz' 2025-08-31T10:10:22,540 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene/struc.xyz' 2025-08-31T10:10:22,542 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne/struc.xyz' 2025-08-31T10:10:22,544 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3/struc.xyz' 2025-08-31T10:10:22,545 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add/struc.xyz' 2025-08-31T10:10:22,547 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add/struc.xyz' 2025-08-31T10:10:22,549 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb/struc.xyz' 2025-08-31T10:10:22,550 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2/struc.xyz' 2025-08-31T10:10:22,552 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8/struc.xyz' 2025-08-31T10:10:22,554 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen/struc.xyz' 2025-08-31T10:10:22,556 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be/struc.xyz' 2025-08-31T10:10:22,558 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+/struc.xyz' 2025-08-31T10:10:22,559 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4/struc.xyz' 2025-08-31T10:10:22,561 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz' 2025-08-31T10:10:22,563 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6/struc.xyz' 2025-08-31T10:10:22,564 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz' 2025-08-31T10:10:22,566 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4/struc.xyz' 2025-08-31T10:10:22,568 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz' 2025-08-31T10:10:22,569 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o/struc.xyz' 2025-08-31T10:10:22,571 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz' 2025-08-31T10:10:22,573 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s/struc.xyz' 2025-08-31T10:10:22,575 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+/struc.xyz' 2025-08-31T10:10:22,576 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg/struc.xyz' 2025-08-31T10:10:22,578 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+/struc.xyz' 2025-08-31T10:10:22,579 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2/struc.xyz' 2025-08-31T10:10:22,581 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz' 2025-08-31T10:10:22,582 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3/struc.xyz' 2025-08-31T10:10:22,584 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+/struc.xyz' 2025-08-31T10:10:22,585 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3/struc.xyz' 2025-08-31T10:10:22,587 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+/struc.xyz' 2025-08-31T10:10:22,590 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene/struc.xyz' 2025-08-31T10:10:22,592 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene/struc.xyz' 2025-08-31T10:10:22,593 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne/struc.xyz' 2025-08-31T10:10:22,595 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne/struc.xyz' 2025-08-31T10:10:22,597 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene/struc.xyz' 2025-08-31T10:10:22,598 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane/struc.xyz' 2025-08-31T10:10:22,600 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2/struc.xyz' 2025-08-31T10:10:22,602 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz' 2025-08-31T10:10:22,603 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz' 2025-08-31T10:10:22,605 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz' 2025-08-31T10:10:22,607 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H/struc.xyz' 2025-08-31T10:10:22,608 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2/struc.xyz' 2025-08-31T10:10:22,610 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2/struc.xyz' 2025-08-31T10:10:22,612 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO/struc.xyz' 2025-08-31T10:10:22,614 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN/struc.xyz' 2025-08-31T10:10:22,616 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz' 2025-08-31T10:10:22,617 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H/struc.xyz' 2025-08-31T10:10:22,619 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2/struc.xyz' 2025-08-31T10:10:22,621 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO/struc.xyz' 2025-08-31T10:10:22,622 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2/struc.xyz' 2025-08-31T10:10:22,624 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH/struc.xyz' 2025-08-31T10:10:22,626 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2/struc.xyz' 2025-08-31T10:10:22,628 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO/struc.xyz' 2025-08-31T10:10:22,629 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H/struc.xyz' 2025-08-31T10:10:22,631 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO/struc.xyz' 2025-08-31T10:10:22,633 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2/struc.xyz' 2025-08-31T10:10:22,634 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz' 2025-08-31T10:10:22,636 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2/struc.xyz' 2025-08-31T10:10:22,638 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO/struc.xyz' 2025-08-31T10:10:22,640 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H/struc.xyz' 2025-08-31T10:10:22,641 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H/struc.xyz' 2025-08-31T10:10:22,643 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O/struc.xyz' 2025-08-31T10:10:22,645 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO/struc.xyz' 2025-08-31T10:10:22,647 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2/struc.xyz' 2025-08-31T10:10:22,648 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2/struc.xyz' 2025-08-31T10:10:22,650 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz' 2025-08-31T10:10:22,652 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2/struc.xyz' 2025-08-31T10:10:22,654 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2/struc.xyz' 2025-08-31T10:10:22,656 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz' 2025-08-31T10:10:22,657 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO/struc.xyz' 2025-08-31T10:10:22,659 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O/struc.xyz' 2025-08-31T10:10:22,660 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2/struc.xyz' 2025-08-31T10:10:22,662 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S/struc.xyz' 2025-08-31T10:10:22,663 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN/struc.xyz' 2025-08-31T10:10:22,665 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11/struc.xyz' 2025-08-31T10:10:22,667 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz' 2025-08-31T10:10:22,668 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl/struc.xyz' 2025-08-31T10:10:22,670 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene/struc.xyz' 2025-08-31T10:10:22,671 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3/struc.xyz' 2025-08-31T10:10:22,673 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2/struc.xyz' 2025-08-31T10:10:22,675 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2/struc.xyz' 2025-08-31T10:10:22,676 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz' 2025-08-31T10:10:22,678 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol/struc.xyz' 2025-08-31T10:10:22,680 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene/struc.xyz' 2025-08-31T10:10:22,681 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine/struc.xyz' 2025-08-31T10:10:22,683 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane/struc.xyz' 2025-08-31T10:10:22,685 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane/struc.xyz' 2025-08-31T10:10:22,686 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane/struc.xyz' 2025-08-31T10:10:22,688 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole/struc.xyz' 2025-08-31T10:10:22,690 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz' 2025-08-31T10:10:22,692 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene/struc.xyz' 2025-08-31T10:10:22,694 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz' 2025-08-31T10:10:22,696 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne/struc.xyz' 2025-08-31T10:10:22,697 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione/struc.xyz' 2025-08-31T10:10:22,699 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne/struc.xyz' 2025-08-31T10:10:22,701 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol/struc.xyz' 2025-08-31T10:10:22,703 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz' 2025-08-31T10:10:22,705 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz' 2025-08-31T10:10:22,707 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz' 2025-08-31T10:10:22,708 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane/struc.xyz' 2025-08-31T10:10:22,710 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran/struc.xyz' 2025-08-31T10:10:22,712 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole/struc.xyz' 2025-08-31T10:10:22,714 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole/struc.xyz' 2025-08-31T10:10:22,715 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine/struc.xyz' 2025-08-31T10:10:22,717 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole/struc.xyz' 2025-08-31T10:10:22,719 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane/struc.xyz' 2025-08-31T10:10:22,720 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane/struc.xyz' 2025-08-31T10:10:22,722 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane/struc.xyz' 2025-08-31T10:10:22,724 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene/struc.xyz' 2025-08-31T10:10:22,726 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol/struc.xyz' 2025-08-31T10:10:22,727 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol/struc.xyz' 2025-08-31T10:10:22,729 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran/struc.xyz' 2025-08-31T10:10:22,731 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane/struc.xyz' 2025-08-31T10:10:22,733 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene/struc.xyz' 2025-08-31T10:10:22,734 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane/struc.xyz' 2025-08-31T10:10:22,736 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene/struc.xyz' 2025-08-31T10:10:22,737 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene/struc.xyz' 2025-08-31T10:10:22,740 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10/struc.xyz' 2025-08-31T10:10:22,742 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n/struc.xyz' 2025-08-31T10:10:22,743 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11/struc.xyz' 2025-08-31T10:10:22,745 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n/struc.xyz' 2025-08-31T10:10:22,746 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12/struc.xyz' 2025-08-31T10:10:22,748 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n/struc.xyz' 2025-08-31T10:10:22,749 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13/struc.xyz' 2025-08-31T10:10:22,751 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n/struc.xyz' 2025-08-31T10:10:22,752 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14/struc.xyz' 2025-08-31T10:10:22,754 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n/struc.xyz' 2025-08-31T10:10:22,755 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15/struc.xyz' 2025-08-31T10:10:22,757 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n/struc.xyz' 2025-08-31T10:10:22,758 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16/struc.xyz' 2025-08-31T10:10:22,760 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n/struc.xyz' 2025-08-31T10:10:22,761 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17/struc.xyz' 2025-08-31T10:10:22,763 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n/struc.xyz' 2025-08-31T10:10:22,765 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18/struc.xyz' 2025-08-31T10:10:22,766 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n/struc.xyz' 2025-08-31T10:10:22,768 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19/struc.xyz' 2025-08-31T10:10:22,769 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n/struc.xyz' 2025-08-31T10:10:22,771 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20/struc.xyz' 2025-08-31T10:10:22,772 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n/struc.xyz' 2025-08-31T10:10:22,774 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21/struc.xyz' 2025-08-31T10:10:22,775 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n/struc.xyz' 2025-08-31T10:10:22,777 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22/struc.xyz' 2025-08-31T10:10:22,779 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n/struc.xyz' 2025-08-31T10:10:22,780 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23/struc.xyz' 2025-08-31T10:10:22,782 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n/struc.xyz' 2025-08-31T10:10:22,784 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24/struc.xyz' 2025-08-31T10:10:22,786 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n/struc.xyz' 2025-08-31T10:10:22,788 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25/struc.xyz' 2025-08-31T10:10:22,790 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n/struc.xyz' 2025-08-31T10:10:22,792 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8/struc.xyz' 2025-08-31T10:10:22,794 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n/struc.xyz' 2025-08-31T10:10:22,796 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9/struc.xyz' 2025-08-31T10:10:22,798 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n/struc.xyz' 2025-08-31T10:10:22,800 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c/struc.xyz' 2025-08-31T10:10:22,802 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-/struc.xyz' 2025-08-31T10:10:22,804 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl/struc.xyz' 2025-08-31T10:10:22,806 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-/struc.xyz' 2025-08-31T10:10:22,808 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f/struc.xyz' 2025-08-31T10:10:22,810 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-/struc.xyz' 2025-08-31T10:10:22,812 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o/struc.xyz' 2025-08-31T10:10:22,814 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-/struc.xyz' 2025-08-31T10:10:22,816 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p/struc.xyz' 2025-08-31T10:10:22,818 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-/struc.xyz' 2025-08-31T10:10:22,820 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s/struc.xyz' 2025-08-31T10:10:22,822 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-/struc.xyz' 2025-08-31T10:10:22,824 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si/struc.xyz' 2025-08-31T10:10:22,825 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-/struc.xyz' 2025-08-31T10:10:22,829 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11/struc.xyz' 2025-08-31T10:10:22,831 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12/struc.xyz' 2025-08-31T10:10:22,833 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13/struc.xyz' 2025-08-31T10:10:22,835 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137/struc.xyz' 2025-08-31T10:10:22,837 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14/struc.xyz' 2025-08-31T10:10:22,839 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18/struc.xyz' 2025-08-31T10:10:22,841 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19/struc.xyz' 2025-08-31T10:10:22,843 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20/struc.xyz' 2025-08-31T10:10:22,845 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22/struc.xyz' 2025-08-31T10:10:22,847 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25/struc.xyz' 2025-08-31T10:10:22,849 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26/struc.xyz' 2025-08-31T10:10:22,851 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30/struc.xyz' 2025-08-31T10:10:22,854 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34/struc.xyz' 2025-08-31T10:10:22,856 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37/struc.xyz' 2025-08-31T10:10:22,858 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43/struc.xyz' 2025-08-31T10:10:22,860 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44/struc.xyz' 2025-08-31T10:10:22,862 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45/struc.xyz' 2025-08-31T10:10:22,864 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48/struc.xyz' 2025-08-31T10:10:22,866 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51/struc.xyz' 2025-08-31T10:10:22,868 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8/struc.xyz' 2025-08-31T10:10:22,870 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59/struc.xyz' 2025-08-31T10:10:22,872 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60/struc.xyz' 2025-08-31T10:10:22,874 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61/struc.xyz' 2025-08-31T10:10:22,876 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62/struc.xyz' 2025-08-31T10:10:22,878 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63/struc.xyz' 2025-08-31T10:10:22,880 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64/struc.xyz' 2025-08-31T10:10:22,882 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65/struc.xyz' 2025-08-31T10:10:22,884 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66/struc.xyz' 2025-08-31T10:10:22,886 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67/struc.xyz' 2025-08-31T10:10:22,888 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68/struc.xyz' 2025-08-31T10:10:22,889 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70/struc.xyz' 2025-08-31T10:10:22,891 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71/struc.xyz' 2025-08-31T10:10:22,893 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72/struc.xyz' 2025-08-31T10:10:22,894 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73/struc.xyz' 2025-08-31T10:10:22,896 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74/struc.xyz' 2025-08-31T10:10:22,898 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75/struc.xyz' 2025-08-31T10:10:22,899 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76/struc.xyz' 2025-08-31T10:10:22,901 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77/struc.xyz' 2025-08-31T10:10:22,902 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78/struc.xyz' 2025-08-31T10:10:22,904 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79/struc.xyz' 2025-08-31T10:10:22,905 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80/struc.xyz' 2025-08-31T10:10:22,907 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65/struc.xyz' 2025-08-31T10:10:22,908 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al/struc.xyz' 2025-08-31T10:10:22,910 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+/struc.xyz' 2025-08-31T10:10:22,911 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b/struc.xyz' 2025-08-31T10:10:22,913 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+/struc.xyz' 2025-08-31T10:10:22,915 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be/struc.xyz' 2025-08-31T10:10:22,916 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+/struc.xyz' 2025-08-31T10:10:22,918 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c/struc.xyz' 2025-08-31T10:10:22,919 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+/struc.xyz' 2025-08-31T10:10:22,921 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl/struc.xyz' 2025-08-31T10:10:22,923 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+/struc.xyz' 2025-08-31T10:10:22,925 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f/struc.xyz' 2025-08-31T10:10:22,926 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+/struc.xyz' 2025-08-31T10:10:22,927 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h/struc.xyz' 2025-08-31T10:10:22,929 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li/struc.xyz' 2025-08-31T10:10:22,930 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+/struc.xyz' 2025-08-31T10:10:22,932 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg/struc.xyz' 2025-08-31T10:10:22,934 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+/struc.xyz' 2025-08-31T10:10:22,935 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n/struc.xyz' 2025-08-31T10:10:22,937 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+/struc.xyz' 2025-08-31T10:10:22,938 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na/struc.xyz' 2025-08-31T10:10:22,940 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+/struc.xyz' 2025-08-31T10:10:22,941 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o/struc.xyz' 2025-08-31T10:10:22,943 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+/struc.xyz' 2025-08-31T10:10:22,945 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p/struc.xyz' 2025-08-31T10:10:22,946 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+/struc.xyz' 2025-08-31T10:10:22,948 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s/struc.xyz' 2025-08-31T10:10:22,949 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+/struc.xyz' 2025-08-31T10:10:22,951 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si/struc.xyz' 2025-08-31T10:10:22,953 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+/struc.xyz' 2025-08-31T10:10:22,955 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1/struc.xyz' 2025-08-31T10:10:22,957 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100/struc.xyz' 2025-08-31T10:10:22,959 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104/struc.xyz' 2025-08-31T10:10:22,960 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106/struc.xyz' 2025-08-31T10:10:22,962 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11/struc.xyz' 2025-08-31T10:10:22,964 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113/struc.xyz' 2025-08-31T10:10:22,965 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117/struc.xyz' 2025-08-31T10:10:22,967 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118/struc.xyz' 2025-08-31T10:10:22,969 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121/struc.xyz' 2025-08-31T10:10:22,970 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126/struc.xyz' 2025-08-31T10:10:22,972 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128/struc.xyz' 2025-08-31T10:10:22,974 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13/struc.xyz' 2025-08-31T10:10:22,976 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14/struc.xyz' 2025-08-31T10:10:22,977 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18/struc.xyz' 2025-08-31T10:10:22,979 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21/struc.xyz' 2025-08-31T10:10:22,980 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22/struc.xyz' 2025-08-31T10:10:22,982 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23/struc.xyz' 2025-08-31T10:10:22,983 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24/struc.xyz' 2025-08-31T10:10:22,985 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25/struc.xyz' 2025-08-31T10:10:22,986 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26/struc.xyz' 2025-08-31T10:10:22,988 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30/struc.xyz' 2025-08-31T10:10:22,989 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32/struc.xyz' 2025-08-31T10:10:22,991 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33/struc.xyz' 2025-08-31T10:10:22,993 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34/struc.xyz' 2025-08-31T10:10:22,994 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39/struc.xyz' 2025-08-31T10:10:22,996 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40/struc.xyz' 2025-08-31T10:10:22,997 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45/struc.xyz' 2025-08-31T10:10:22,999 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47/struc.xyz' 2025-08-31T10:10:23,000 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51/struc.xyz' 2025-08-31T10:10:23,002 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52/struc.xyz' 2025-08-31T10:10:23,003 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56/struc.xyz' 2025-08-31T10:10:23,005 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57/struc.xyz' 2025-08-31T10:10:23,006 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58/struc.xyz' 2025-08-31T10:10:23,008 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59/struc.xyz' 2025-08-31T10:10:23,009 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6/struc.xyz' 2025-08-31T10:10:23,011 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60/struc.xyz' 2025-08-31T10:10:23,012 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61/struc.xyz' 2025-08-31T10:10:23,014 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62/struc.xyz' 2025-08-31T10:10:23,015 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66/struc.xyz' 2025-08-31T10:10:23,017 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67/struc.xyz' 2025-08-31T10:10:23,019 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68/struc.xyz' 2025-08-31T10:10:23,020 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73/struc.xyz' 2025-08-31T10:10:23,022 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8/struc.xyz' 2025-08-31T10:10:23,023 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82/struc.xyz' 2025-08-31T10:10:23,025 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88/struc.xyz' 2025-08-31T10:10:23,027 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94/struc.xyz' 2025-08-31T10:10:23,028 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97/struc.xyz' 2025-08-31T10:10:23,032 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA/struc.xyz' 2025-08-31T10:10:23,034 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz' 2025-08-31T10:10:23,036 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB/struc.xyz' 2025-08-31T10:10:23,037 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA/struc.xyz' 2025-08-31T10:10:23,039 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz' 2025-08-31T10:10:23,041 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB/struc.xyz' 2025-08-31T10:10:23,042 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz' 2025-08-31T10:10:23,044 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz' 2025-08-31T10:10:23,046 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz' 2025-08-31T10:10:23,048 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz' 2025-08-31T10:10:23,049 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz' 2025-08-31T10:10:23,051 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz' 2025-08-31T10:10:23,053 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz' 2025-08-31T10:10:23,055 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz' 2025-08-31T10:10:23,056 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz' 2025-08-31T10:10:23,058 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz' 2025-08-31T10:10:23,059 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz' 2025-08-31T10:10:23,061 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz' 2025-08-31T10:10:23,062 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz' 2025-08-31T10:10:23,064 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz' 2025-08-31T10:10:23,066 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz' 2025-08-31T10:10:23,067 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz' 2025-08-31T10:10:23,069 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz' 2025-08-31T10:10:23,070 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz' 2025-08-31T10:10:23,072 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz' 2025-08-31T10:10:23,073 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz' 2025-08-31T10:10:23,075 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz' 2025-08-31T10:10:23,077 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz' 2025-08-31T10:10:23,078 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz' 2025-08-31T10:10:23,080 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz' 2025-08-31T10:10:23,081 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz' 2025-08-31T10:10:23,083 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz' 2025-08-31T10:10:23,085 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz' 2025-08-31T10:10:23,087 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz' 2025-08-31T10:10:23,088 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz' 2025-08-31T10:10:23,090 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz' 2025-08-31T10:10:23,091 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz' 2025-08-31T10:10:23,093 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz' 2025-08-31T10:10:23,095 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz' 2025-08-31T10:10:23,096 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz' 2025-08-31T10:10:23,098 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz' 2025-08-31T10:10:23,100 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz' 2025-08-31T10:10:23,101 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr/struc.xyz' 2025-08-31T10:10:23,103 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz' 2025-08-31T10:10:23,105 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe/struc.xyz' 2025-08-31T10:10:23,106 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH/struc.xyz' 2025-08-31T10:10:23,108 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3/struc.xyz' 2025-08-31T10:10:23,110 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz' 2025-08-31T10:10:23,111 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz' 2025-08-31T10:10:23,113 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH/struc.xyz' 2025-08-31T10:10:23,115 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr/struc.xyz' 2025-08-31T10:10:23,117 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI/struc.xyz' 2025-08-31T10:10:23,118 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr/struc.xyz' 2025-08-31T10:10:23,120 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH/struc.xyz' 2025-08-31T10:10:23,121 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl/struc.xyz' 2025-08-31T10:10:23,123 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI/struc.xyz' 2025-08-31T10:10:23,125 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH/struc.xyz' 2025-08-31T10:10:23,126 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe/struc.xyz' 2025-08-31T10:10:23,128 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH/struc.xyz' 2025-08-31T10:10:23,129 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3/struc.xyz' 2025-08-31T10:10:23,131 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2/struc.xyz' 2025-08-31T10:10:23,132 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3/struc.xyz' 2025-08-31T10:10:23,136 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH/struc.xyz' 2025-08-31T10:10:23,137 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr/struc.xyz' 2025-08-31T10:10:23,139 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe/struc.xyz' 2025-08-31T10:10:23,140 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI/struc.xyz' 2025-08-31T10:10:23,142 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH/struc.xyz' 2025-08-31T10:10:23,143 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe/struc.xyz' 2025-08-31T10:10:23,145 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH/struc.xyz' 2025-08-31T10:10:23,146 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3/struc.xyz' 2025-08-31T10:10:23,148 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2/struc.xyz' 2025-08-31T10:10:23,149 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3/struc.xyz' 2025-08-31T10:10:23,151 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH/struc.xyz' 2025-08-31T10:10:23,152 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr/struc.xyz' 2025-08-31T10:10:23,154 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS/struc.xyz' 2025-08-31T10:10:23,156 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH/struc.xyz' 2025-08-31T10:10:23,157 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI/struc.xyz' 2025-08-31T10:10:23,159 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr/struc.xyz' 2025-08-31T10:10:23,160 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl/struc.xyz' 2025-08-31T10:10:23,162 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS/struc.xyz' 2025-08-31T10:10:23,164 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS/struc.xyz' 2025-08-31T10:10:23,165 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr/struc.xyz' 2025-08-31T10:10:23,167 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI/struc.xyz' 2025-08-31T10:10:23,168 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3/struc.xyz' 2025-08-31T10:10:23,170 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI/struc.xyz' 2025-08-31T10:10:23,171 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr/struc.xyz' 2025-08-31T10:10:23,173 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl/struc.xyz' 2025-08-31T10:10:23,175 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS/struc.xyz' 2025-08-31T10:10:23,176 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS/struc.xyz' 2025-08-31T10:10:23,178 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr/struc.xyz' 2025-08-31T10:10:23,180 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI/struc.xyz' 2025-08-31T10:10:23,181 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS/struc.xyz' 2025-08-31T10:10:23,183 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2/struc.xyz' 2025-08-31T10:10:23,185 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3/struc.xyz' 2025-08-31T10:10:23,186 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH/struc.xyz' 2025-08-31T10:10:23,188 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI/struc.xyz' 2025-08-31T10:10:23,190 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr/struc.xyz' 2025-08-31T10:10:23,191 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl/struc.xyz' 2025-08-31T10:10:23,193 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS/struc.xyz' 2025-08-31T10:10:23,195 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS/struc.xyz' 2025-08-31T10:10:23,197 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr/struc.xyz' 2025-08-31T10:10:23,199 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI/struc.xyz' 2025-08-31T10:10:23,200 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr/struc.xyz' 2025-08-31T10:10:23,202 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI/struc.xyz' 2025-08-31T10:10:23,203 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr/struc.xyz' 2025-08-31T10:10:23,206 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3/struc.xyz' 2025-08-31T10:10:23,207 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2/struc.xyz' 2025-08-31T10:10:23,209 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz' 2025-08-31T10:10:23,210 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz' 2025-08-31T10:10:23,212 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz' 2025-08-31T10:10:23,213 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz' 2025-08-31T10:10:23,215 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi/struc.xyz' 2025-08-31T10:10:23,216 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz' 2025-08-31T10:10:23,218 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o/struc.xyz' 2025-08-31T10:10:23,219 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s/struc.xyz' 2025-08-31T10:10:23,221 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr/struc.xyz' 2025-08-31T10:10:23,222 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl/struc.xyz' 2025-08-31T10:10:23,224 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi/struc.xyz' 2025-08-31T10:10:23,226 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3/struc.xyz' 2025-08-31T10:10:23,227 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4/struc.xyz' 2025-08-31T10:10:23,229 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2/struc.xyz' 2025-08-31T10:10:23,231 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz' 2025-08-31T10:10:23,232 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz' 2025-08-31T10:10:23,234 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz' 2025-08-31T10:10:23,236 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz' 2025-08-31T10:10:23,237 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz' 2025-08-31T10:10:23,239 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz' 2025-08-31T10:10:23,241 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3/struc.xyz' 2025-08-31T10:10:23,242 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2/struc.xyz' 2025-08-31T10:10:23,244 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz' 2025-08-31T10:10:23,245 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz' 2025-08-31T10:10:23,247 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz' 2025-08-31T10:10:23,249 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz' 2025-08-31T10:10:23,250 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz' 2025-08-31T10:10:23,252 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz' 2025-08-31T10:10:23,254 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2/struc.xyz' 2025-08-31T10:10:23,255 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2/struc.xyz' 2025-08-31T10:10:23,257 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz' 2025-08-31T10:10:23,259 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz' 2025-08-31T10:10:23,261 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz' 2025-08-31T10:10:23,262 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz' 2025-08-31T10:10:23,264 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi/struc.xyz' 2025-08-31T10:10:23,266 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz' 2025-08-31T10:10:23,268 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4/struc.xyz' 2025-08-31T10:10:23,270 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2/struc.xyz' 2025-08-31T10:10:23,271 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br/struc.xyz' 2025-08-31T10:10:23,273 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2/struc.xyz' 2025-08-31T10:10:23,274 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl/struc.xyz' 2025-08-31T10:10:23,276 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2/struc.xyz' 2025-08-31T10:10:23,277 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz' 2025-08-31T10:10:23,279 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3/struc.xyz' 2025-08-31T10:10:23,280 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2/struc.xyz' 2025-08-31T10:10:23,282 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2/struc.xyz' 2025-08-31T10:10:23,283 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4/struc.xyz' 2025-08-31T10:10:23,285 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz' 2025-08-31T10:10:23,287 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3/struc.xyz' 2025-08-31T10:10:23,288 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2/struc.xyz' 2025-08-31T10:10:23,290 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz' 2025-08-31T10:10:23,291 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2/struc.xyz' 2025-08-31T10:10:23,293 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh/struc.xyz' 2025-08-31T10:10:23,294 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh/struc.xyz' 2025-08-31T10:10:23,296 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz' 2025-08-31T10:10:23,298 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3/struc.xyz' 2025-08-31T10:10:23,299 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2/struc.xyz' 2025-08-31T10:10:23,301 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme/struc.xyz' 2025-08-31T10:10:23,304 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1/struc.xyz' 2025-08-31T10:10:23,305 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2/struc.xyz' 2025-08-31T10:10:23,307 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3/struc.xyz' 2025-08-31T10:10:23,308 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1/struc.xyz' 2025-08-31T10:10:23,310 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2/struc.xyz' 2025-08-31T10:10:23,312 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3/struc.xyz' 2025-08-31T10:10:23,313 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4/struc.xyz' 2025-08-31T10:10:23,315 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1/struc.xyz' 2025-08-31T10:10:23,317 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2/struc.xyz' 2025-08-31T10:10:23,318 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3/struc.xyz' 2025-08-31T10:10:23,320 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1/struc.xyz' 2025-08-31T10:10:23,322 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2/struc.xyz' 2025-08-31T10:10:23,324 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1/struc.xyz' 2025-08-31T10:10:23,326 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2/struc.xyz' 2025-08-31T10:10:23,327 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3/struc.xyz' 2025-08-31T10:10:23,329 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1/struc.xyz' 2025-08-31T10:10:23,331 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2/struc.xyz' 2025-08-31T10:10:23,332 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1/struc.xyz' 2025-08-31T10:10:23,334 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2/struc.xyz' 2025-08-31T10:10:23,336 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1/struc.xyz' 2025-08-31T10:10:23,337 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2/struc.xyz' 2025-08-31T10:10:23,339 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1/struc.xyz' 2025-08-31T10:10:23,341 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2/struc.xyz' 2025-08-31T10:10:23,342 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3/struc.xyz' 2025-08-31T10:10:23,344 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4/struc.xyz' 2025-08-31T10:10:23,346 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1/struc.xyz' 2025-08-31T10:10:23,347 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2/struc.xyz' 2025-08-31T10:10:23,350 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f/struc.xyz' 2025-08-31T10:10:23,352 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l/struc.xyz' 2025-08-31T10:10:23,353 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f/struc.xyz' 2025-08-31T10:10:23,355 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l/struc.xyz' 2025-08-31T10:10:23,357 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant/struc.xyz' 2025-08-31T10:10:23,358 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer/struc.xyz' 2025-08-31T10:10:23,360 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2/struc.xyz' 2025-08-31T10:10:23,361 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1/struc.xyz' 2025-08-31T10:10:23,363 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2/struc.xyz' 2025-08-31T10:10:23,364 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22/struc.xyz' 2025-08-31T10:10:23,366 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene/struc.xyz' 2025-08-31T10:10:23,368 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1/struc.xyz' 2025-08-31T10:10:23,369 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2/struc.xyz' 2025-08-31T10:10:23,372 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008/struc.xyz' 2025-08-31T10:10:23,373 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A/struc.xyz' 2025-08-31T10:10:23,375 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B/struc.xyz' 2025-08-31T10:10:23,376 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144/struc.xyz' 2025-08-31T10:10:23,378 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A/struc.xyz' 2025-08-31T10:10:23,380 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B/struc.xyz' 2025-08-31T10:10:23,382 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147/struc.xyz' 2025-08-31T10:10:23,383 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A/struc.xyz' 2025-08-31T10:10:23,385 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B/struc.xyz' 2025-08-31T10:10:23,386 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148/struc.xyz' 2025-08-31T10:10:23,388 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A/struc.xyz' 2025-08-31T10:10:23,390 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B/struc.xyz' 2025-08-31T10:10:23,391 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150/struc.xyz' 2025-08-31T10:10:23,393 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A/struc.xyz' 2025-08-31T10:10:23,395 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B/struc.xyz' 2025-08-31T10:10:23,396 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152/struc.xyz' 2025-08-31T10:10:23,398 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A/struc.xyz' 2025-08-31T10:10:23,400 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B/struc.xyz' 2025-08-31T10:10:23,401 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187/struc.xyz' 2025-08-31T10:10:23,403 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A/struc.xyz' 2025-08-31T10:10:23,405 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B/struc.xyz' 2025-08-31T10:10:23,407 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202/struc.xyz' 2025-08-31T10:10:23,408 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A/struc.xyz' 2025-08-31T10:10:23,410 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B/struc.xyz' 2025-08-31T10:10:23,412 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212/struc.xyz' 2025-08-31T10:10:23,413 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A/struc.xyz' 2025-08-31T10:10:23,415 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B/struc.xyz' 2025-08-31T10:10:23,417 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213/struc.xyz' 2025-08-31T10:10:23,418 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A/struc.xyz' 2025-08-31T10:10:23,420 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B/struc.xyz' 2025-08-31T10:10:23,422 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214/struc.xyz' 2025-08-31T10:10:23,423 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A/struc.xyz' 2025-08-31T10:10:23,425 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B/struc.xyz' 2025-08-31T10:10:23,427 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227/struc.xyz' 2025-08-31T10:10:23,428 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A/struc.xyz' 2025-08-31T10:10:23,430 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B/struc.xyz' 2025-08-31T10:10:23,431 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228/struc.xyz' 2025-08-31T10:10:23,433 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A/struc.xyz' 2025-08-31T10:10:23,434 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B/struc.xyz' 2025-08-31T10:10:23,436 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229/struc.xyz' 2025-08-31T10:10:23,437 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A/struc.xyz' 2025-08-31T10:10:23,439 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B/struc.xyz' 2025-08-31T10:10:23,441 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230/struc.xyz' 2025-08-31T10:10:23,442 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A/struc.xyz' 2025-08-31T10:10:23,444 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B/struc.xyz' 2025-08-31T10:10:23,445 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231/struc.xyz' 2025-08-31T10:10:23,447 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A/struc.xyz' 2025-08-31T10:10:23,449 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B/struc.xyz' 2025-08-31T10:10:23,452 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene/struc.xyz' 2025-08-31T10:10:23,454 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz' 2025-08-31T10:10:23,456 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene/struc.xyz' 2025-08-31T10:10:23,458 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz' 2025-08-31T10:10:23,459 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene/struc.xyz' 2025-08-31T10:10:23,461 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS/struc.xyz' 2025-08-31T10:10:23,463 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz' 2025-08-31T10:10:23,465 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz' 2025-08-31T10:10:23,467 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz' 2025-08-31T10:10:23,469 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz' 2025-08-31T10:10:23,470 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether/struc.xyz' 2025-08-31T10:10:23,472 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS/struc.xyz' 2025-08-31T10:10:23,474 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O/struc.xyz' 2025-08-31T10:10:23,475 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS/struc.xyz' 2025-08-31T10:10:23,477 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S/struc.xyz' 2025-08-31T10:10:23,478 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS/struc.xyz' 2025-08-31T10:10:23,480 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene/struc.xyz' 2025-08-31T10:10:23,482 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz' 2025-08-31T10:10:23,484 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine/struc.xyz' 2025-08-31T10:10:23,486 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz' 2025-08-31T10:10:23,488 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3/struc.xyz' 2025-08-31T10:10:23,489 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS/struc.xyz' 2025-08-31T10:10:23,491 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3/struc.xyz' 2025-08-31T10:10:23,493 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS/struc.xyz' 2025-08-31T10:10:23,495 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3/struc.xyz' 2025-08-31T10:10:23,496 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS/struc.xyz' 2025-08-31T10:10:23,498 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph/struc.xyz' 2025-08-31T10:10:23,500 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS/struc.xyz' 2025-08-31T10:10:23,501 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3/struc.xyz' 2025-08-31T10:10:23,503 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS/struc.xyz' 2025-08-31T10:10:23,505 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3/struc.xyz' 2025-08-31T10:10:23,507 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS/struc.xyz' 2025-08-31T10:10:23,509 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene/struc.xyz' 2025-08-31T10:10:23,510 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz' 2025-08-31T10:10:23,512 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2/struc.xyz' 2025-08-31T10:10:23,514 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS/struc.xyz' 2025-08-31T10:10:23,515 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene/struc.xyz' 2025-08-31T10:10:23,517 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS/struc.xyz' 2025-08-31T10:10:23,519 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz' 2025-08-31T10:10:23,521 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz' 2025-08-31T10:10:23,523 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene/struc.xyz' 2025-08-31T10:10:23,524 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz' 2025-08-31T10:10:23,526 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether/struc.xyz' 2025-08-31T10:10:23,528 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS/struc.xyz' 2025-08-31T10:10:23,529 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene/struc.xyz' 2025-08-31T10:10:23,531 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz' 2025-08-31T10:10:23,533 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz' 2025-08-31T10:10:23,535 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz' 2025-08-31T10:10:23,538 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1/struc.xyz' 2025-08-31T10:10:23,540 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10/struc.xyz' 2025-08-31T10:10:23,541 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11/struc.xyz' 2025-08-31T10:10:23,543 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12/struc.xyz' 2025-08-31T10:10:23,545 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13/struc.xyz' 2025-08-31T10:10:23,546 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14/struc.xyz' 2025-08-31T10:10:23,548 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15/struc.xyz' 2025-08-31T10:10:23,550 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16/struc.xyz' 2025-08-31T10:10:23,551 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17/struc.xyz' 2025-08-31T10:10:23,553 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18/struc.xyz' 2025-08-31T10:10:23,555 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19/struc.xyz' 2025-08-31T10:10:23,556 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20/struc.xyz' 2025-08-31T10:10:23,558 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21/struc.xyz' 2025-08-31T10:10:23,560 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22/struc.xyz' 2025-08-31T10:10:23,562 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23/struc.xyz' 2025-08-31T10:10:23,563 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24/struc.xyz' 2025-08-31T10:10:23,565 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25/struc.xyz' 2025-08-31T10:10:23,567 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26/struc.xyz' 2025-08-31T10:10:23,568 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27/struc.xyz' 2025-08-31T10:10:23,570 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28/struc.xyz' 2025-08-31T10:10:23,572 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29/struc.xyz' 2025-08-31T10:10:23,573 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3/struc.xyz' 2025-08-31T10:10:23,575 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30/struc.xyz' 2025-08-31T10:10:23,577 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31/struc.xyz' 2025-08-31T10:10:23,579 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32/struc.xyz' 2025-08-31T10:10:23,581 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33/struc.xyz' 2025-08-31T10:10:23,582 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34/struc.xyz' 2025-08-31T10:10:23,584 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4/struc.xyz' 2025-08-31T10:10:23,586 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5/struc.xyz' 2025-08-31T10:10:23,587 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7/struc.xyz' 2025-08-31T10:10:23,589 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8/struc.xyz' 2025-08-31T10:10:23,590 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9/struc.xyz' 2025-08-31T10:10:23,592 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1/struc.xyz' 2025-08-31T10:10:23,593 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10/struc.xyz' 2025-08-31T10:10:23,595 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11/struc.xyz' 2025-08-31T10:10:23,597 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12/struc.xyz' 2025-08-31T10:10:23,598 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13/struc.xyz' 2025-08-31T10:10:23,600 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14/struc.xyz' 2025-08-31T10:10:23,602 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15/struc.xyz' 2025-08-31T10:10:23,603 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16/struc.xyz' 2025-08-31T10:10:23,605 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17/struc.xyz' 2025-08-31T10:10:23,607 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18/struc.xyz' 2025-08-31T10:10:23,608 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2/struc.xyz' 2025-08-31T10:10:23,610 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20/struc.xyz' 2025-08-31T10:10:23,612 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21/struc.xyz' 2025-08-31T10:10:23,614 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23/struc.xyz' 2025-08-31T10:10:23,616 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24/struc.xyz' 2025-08-31T10:10:23,618 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25/struc.xyz' 2025-08-31T10:10:23,620 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26/struc.xyz' 2025-08-31T10:10:23,622 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27/struc.xyz' 2025-08-31T10:10:23,623 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28/struc.xyz' 2025-08-31T10:10:23,625 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29/struc.xyz' 2025-08-31T10:10:23,627 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3/struc.xyz' 2025-08-31T10:10:23,628 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30/struc.xyz' 2025-08-31T10:10:23,630 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31/struc.xyz' 2025-08-31T10:10:23,632 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32/struc.xyz' 2025-08-31T10:10:23,634 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33/struc.xyz' 2025-08-31T10:10:23,635 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34/struc.xyz' 2025-08-31T10:10:23,637 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4/struc.xyz' 2025-08-31T10:10:23,638 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6/struc.xyz' 2025-08-31T10:10:23,640 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7/struc.xyz' 2025-08-31T10:10:23,642 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8/struc.xyz' 2025-08-31T10:10:23,644 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9/struc.xyz' 2025-08-31T10:10:23,646 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e/struc.xyz' 2025-08-31T10:10:23,648 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p/struc.xyz' 2025-08-31T10:10:23,650 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e/struc.xyz' 2025-08-31T10:10:23,652 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p/struc.xyz' 2025-08-31T10:10:23,654 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e/struc.xyz' 2025-08-31T10:10:23,655 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p/struc.xyz' 2025-08-31T10:10:23,657 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e/struc.xyz' 2025-08-31T10:10:23,659 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p/struc.xyz' 2025-08-31T10:10:23,661 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e/struc.xyz' 2025-08-31T10:10:23,663 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p/struc.xyz' 2025-08-31T10:10:23,665 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e/struc.xyz' 2025-08-31T10:10:23,666 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p/struc.xyz' 2025-08-31T10:10:23,668 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e/struc.xyz' 2025-08-31T10:10:23,670 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p/struc.xyz' 2025-08-31T10:10:23,672 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e/struc.xyz' 2025-08-31T10:10:23,673 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p/struc.xyz' 2025-08-31T10:10:23,675 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e/struc.xyz' 2025-08-31T10:10:23,677 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p/struc.xyz' 2025-08-31T10:10:23,679 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e/struc.xyz' 2025-08-31T10:10:23,680 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p/struc.xyz' 2025-08-31T10:10:23,682 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e/struc.xyz' 2025-08-31T10:10:23,684 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p/struc.xyz' 2025-08-31T10:10:23,686 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e/struc.xyz' 2025-08-31T10:10:23,688 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p/struc.xyz' 2025-08-31T10:10:23,690 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e/struc.xyz' 2025-08-31T10:10:23,691 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p/struc.xyz' 2025-08-31T10:10:23,693 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e/struc.xyz' 2025-08-31T10:10:23,695 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p/struc.xyz' 2025-08-31T10:10:23,697 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e/struc.xyz' 2025-08-31T10:10:23,699 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p/struc.xyz' 2025-08-31T10:10:23,701 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e/struc.xyz' 2025-08-31T10:10:23,702 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p/struc.xyz' 2025-08-31T10:10:23,704 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e/struc.xyz' 2025-08-31T10:10:23,706 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p/struc.xyz' 2025-08-31T10:10:23,708 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e/struc.xyz' 2025-08-31T10:10:23,710 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p/struc.xyz' 2025-08-31T10:10:23,712 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e/struc.xyz' 2025-08-31T10:10:23,714 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p/struc.xyz' 2025-08-31T10:10:23,715 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e/struc.xyz' 2025-08-31T10:10:23,717 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p/struc.xyz' 2025-08-31T10:10:23,719 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e/struc.xyz' 2025-08-31T10:10:23,721 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p/struc.xyz' 2025-08-31T10:10:23,723 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e/struc.xyz' 2025-08-31T10:10:23,725 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p/struc.xyz' 2025-08-31T10:10:23,727 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e/struc.xyz' 2025-08-31T10:10:23,729 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p/struc.xyz' 2025-08-31T10:10:23,731 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e/struc.xyz' 2025-08-31T10:10:23,733 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p/struc.xyz' 2025-08-31T10:10:23,736 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01/struc.xyz' 2025-08-31T10:10:23,737 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02/struc.xyz' 2025-08-31T10:10:23,739 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03/struc.xyz' 2025-08-31T10:10:23,741 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04/struc.xyz' 2025-08-31T10:10:23,743 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05/struc.xyz' 2025-08-31T10:10:23,744 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06/struc.xyz' 2025-08-31T10:10:23,746 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07/struc.xyz' 2025-08-31T10:10:23,748 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08/struc.xyz' 2025-08-31T10:10:23,750 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09/struc.xyz' 2025-08-31T10:10:23,752 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10/struc.xyz' 2025-08-31T10:10:23,753 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11/struc.xyz' 2025-08-31T10:10:23,755 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12/struc.xyz' 2025-08-31T10:10:23,757 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13/struc.xyz' 2025-08-31T10:10:23,759 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14/struc.xyz' 2025-08-31T10:10:23,760 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15/struc.xyz' 2025-08-31T10:10:23,762 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16/struc.xyz' 2025-08-31T10:10:23,764 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17/struc.xyz' 2025-08-31T10:10:23,766 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18/struc.xyz' 2025-08-31T10:10:23,768 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19/struc.xyz' 2025-08-31T10:10:23,770 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20/struc.xyz' 2025-08-31T10:10:23,772 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21/struc.xyz' 2025-08-31T10:10:23,773 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22/struc.xyz' 2025-08-31T10:10:23,775 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23/struc.xyz' 2025-08-31T10:10:23,777 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24/struc.xyz' 2025-08-31T10:10:23,778 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25/struc.xyz' 2025-08-31T10:10:23,780 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26/struc.xyz' 2025-08-31T10:10:23,782 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27/struc.xyz' 2025-08-31T10:10:23,783 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28/struc.xyz' 2025-08-31T10:10:23,785 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29/struc.xyz' 2025-08-31T10:10:23,787 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30/struc.xyz' 2025-08-31T10:10:23,789 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31/struc.xyz' 2025-08-31T10:10:23,790 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32/struc.xyz' 2025-08-31T10:10:23,792 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33/struc.xyz' 2025-08-31T10:10:23,794 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34/struc.xyz' 2025-08-31T10:10:23,796 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35/struc.xyz' 2025-08-31T10:10:23,797 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36/struc.xyz' 2025-08-31T10:10:23,799 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37/struc.xyz' 2025-08-31T10:10:23,801 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38/struc.xyz' 2025-08-31T10:10:23,802 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39/struc.xyz' 2025-08-31T10:10:23,804 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40/struc.xyz' 2025-08-31T10:10:23,806 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41/struc.xyz' 2025-08-31T10:10:23,808 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42/struc.xyz' 2025-08-31T10:10:23,809 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43/struc.xyz' 2025-08-31T10:10:23,811 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3/struc.xyz' 2025-08-31T10:10:23,813 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3/struc.xyz' 2025-08-31T10:10:23,815 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2/struc.xyz' 2025-08-31T10:10:23,816 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4/struc.xyz' 2025-08-31T10:10:23,818 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2/struc.xyz' 2025-08-31T10:10:23,820 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2/struc.xyz' 2025-08-31T10:10:23,822 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2/struc.xyz' 2025-08-31T10:10:23,824 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH/struc.xyz' 2025-08-31T10:10:23,825 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2/struc.xyz' 2025-08-31T10:10:23,827 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2/struc.xyz' 2025-08-31T10:10:23,829 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH/struc.xyz' 2025-08-31T10:10:23,830 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2/struc.xyz' 2025-08-31T10:10:23,832 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2/struc.xyz' 2025-08-31T10:10:23,833 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2/struc.xyz' 2025-08-31T10:10:23,835 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4/struc.xyz' 2025-08-31T10:10:23,838 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1/struc.xyz' 2025-08-31T10:10:23,839 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10/struc.xyz' 2025-08-31T10:10:23,841 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11/struc.xyz' 2025-08-31T10:10:23,843 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12/struc.xyz' 2025-08-31T10:10:23,844 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13/struc.xyz' 2025-08-31T10:10:23,846 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14/struc.xyz' 2025-08-31T10:10:23,848 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15/struc.xyz' 2025-08-31T10:10:23,850 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16/struc.xyz' 2025-08-31T10:10:23,851 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17/struc.xyz' 2025-08-31T10:10:23,853 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18/struc.xyz' 2025-08-31T10:10:23,855 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19/struc.xyz' 2025-08-31T10:10:23,857 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2/struc.xyz' 2025-08-31T10:10:23,858 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20/struc.xyz' 2025-08-31T10:10:23,860 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21/struc.xyz' 2025-08-31T10:10:23,862 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22/struc.xyz' 2025-08-31T10:10:23,864 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23/struc.xyz' 2025-08-31T10:10:23,866 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24/struc.xyz' 2025-08-31T10:10:23,868 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25/struc.xyz' 2025-08-31T10:10:23,870 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26/struc.xyz' 2025-08-31T10:10:23,871 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27/struc.xyz' 2025-08-31T10:10:23,873 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28/struc.xyz' 2025-08-31T10:10:23,875 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29/struc.xyz' 2025-08-31T10:10:23,877 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3/struc.xyz' 2025-08-31T10:10:23,879 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30/struc.xyz' 2025-08-31T10:10:23,880 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31/struc.xyz' 2025-08-31T10:10:23,882 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32/struc.xyz' 2025-08-31T10:10:23,884 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33/struc.xyz' 2025-08-31T10:10:23,886 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34/struc.xyz' 2025-08-31T10:10:23,887 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35/struc.xyz' 2025-08-31T10:10:23,889 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36/struc.xyz' 2025-08-31T10:10:23,891 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37/struc.xyz' 2025-08-31T10:10:23,893 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38/struc.xyz' 2025-08-31T10:10:23,895 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39/struc.xyz' 2025-08-31T10:10:23,897 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4/struc.xyz' 2025-08-31T10:10:23,898 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40/struc.xyz' 2025-08-31T10:10:23,900 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41/struc.xyz' 2025-08-31T10:10:23,902 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42/struc.xyz' 2025-08-31T10:10:23,904 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43/struc.xyz' 2025-08-31T10:10:23,906 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44/struc.xyz' 2025-08-31T10:10:23,908 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45/struc.xyz' 2025-08-31T10:10:23,910 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46/struc.xyz' 2025-08-31T10:10:23,912 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47/struc.xyz' 2025-08-31T10:10:23,914 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48/struc.xyz' 2025-08-31T10:10:23,916 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49/struc.xyz' 2025-08-31T10:10:23,918 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5/struc.xyz' 2025-08-31T10:10:23,920 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50/struc.xyz' 2025-08-31T10:10:23,921 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51/struc.xyz' 2025-08-31T10:10:23,923 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52/struc.xyz' 2025-08-31T10:10:23,925 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6/struc.xyz' 2025-08-31T10:10:23,926 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7/struc.xyz' 2025-08-31T10:10:23,928 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8/struc.xyz' 2025-08-31T10:10:23,930 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9/struc.xyz' 2025-08-31T10:10:23,932 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3/struc.xyz' 2025-08-31T10:10:23,934 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz' 2025-08-31T10:10:23,935 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3/struc.xyz' 2025-08-31T10:10:23,937 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3/struc.xyz' 2025-08-31T10:10:23,939 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3/struc.xyz' 2025-08-31T10:10:23,940 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3/struc.xyz' 2025-08-31T10:10:23,942 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2/struc.xyz' 2025-08-31T10:10:23,943 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl/struc.xyz' 2025-08-31T10:10:23,945 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F/struc.xyz' 2025-08-31T10:10:23,947 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H/struc.xyz' 2025-08-31T10:10:23,948 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3/struc.xyz' 2025-08-31T10:10:23,950 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3/struc.xyz' 2025-08-31T10:10:23,951 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3/struc.xyz' 2025-08-31T10:10:23,953 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz/struc.xyz' 2025-08-31T10:10:23,954 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut/struc.xyz' 2025-08-31T10:10:23,956 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch/struc.xyz' 2025-08-31T10:10:23,958 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2/struc.xyz' 2025-08-31T10:10:23,959 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh/struc.xyz' 2025-08-31T10:10:23,961 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2/struc.xyz' 2025-08-31T10:10:23,963 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3/struc.xyz' 2025-08-31T10:10:23,964 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3/struc.xyz' 2025-08-31T10:10:23,967 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A/struc.xyz' 2025-08-31T10:10:23,969 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap/struc.xyz' 2025-08-31T10:10:23,971 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C/struc.xyz' 2025-08-31T10:10:23,972 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp/struc.xyz' 2025-08-31T10:10:23,974 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G/struc.xyz' 2025-08-31T10:10:23,976 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp/struc.xyz' 2025-08-31T10:10:23,978 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T/struc.xyz' 2025-08-31T10:10:23,979 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp/struc.xyz' 2025-08-31T10:10:23,981 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass/struc.xyz' 2025-08-31T10:10:23,983 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp/struc.xyz' 2025-08-31T10:10:23,985 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6/struc.xyz' 2025-08-31T10:10:23,987 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p/struc.xyz' 2025-08-31T10:10:23,988 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2/struc.xyz' 2025-08-31T10:10:23,990 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p/struc.xyz' 2025-08-31T10:10:23,991 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s/struc.xyz' 2025-08-31T10:10:23,993 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp/struc.xyz' 2025-08-31T10:10:23,995 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh/struc.xyz' 2025-08-31T10:10:23,997 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp/struc.xyz' 2025-08-31T10:10:23,998 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys/struc.xyz' 2025-08-31T10:10:24,000 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp/struc.xyz' 2025-08-31T10:10:24,002 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol/struc.xyz' 2025-08-31T10:10:24,003 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp/struc.xyz' 2025-08-31T10:10:24,005 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly/struc.xyz' 2025-08-31T10:10:24,006 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp/struc.xyz' 2025-08-31T10:10:24,008 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2/struc.xyz' 2025-08-31T10:10:24,009 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o/struc.xyz' 2025-08-31T10:10:24,011 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op/struc.xyz' 2025-08-31T10:10:24,012 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p/struc.xyz' 2025-08-31T10:10:24,014 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s/struc.xyz' 2025-08-31T10:10:24,015 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp/struc.xyz' 2025-08-31T10:10:24,017 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl/struc.xyz' 2025-08-31T10:10:24,018 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp/struc.xyz' 2025-08-31T10:10:24,020 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3/struc.xyz' 2025-08-31T10:10:24,022 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p/struc.xyz' 2025-08-31T10:10:24,024 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2/struc.xyz' 2025-08-31T10:10:24,025 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p/struc.xyz' 2025-08-31T10:10:24,027 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4/struc.xyz' 2025-08-31T10:10:24,028 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p/struc.xyz' 2025-08-31T10:10:24,030 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6/struc.xyz' 2025-08-31T10:10:24,032 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p/struc.xyz' 2025-08-31T10:10:24,034 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8/struc.xyz' 2025-08-31T10:10:24,035 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p/struc.xyz' 2025-08-31T10:10:24,037 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3/struc.xyz' 2025-08-31T10:10:24,038 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p/struc.xyz' 2025-08-31T10:10:24,040 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol/struc.xyz' 2025-08-31T10:10:24,042 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp/struc.xyz' 2025-08-31T10:10:24,043 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol/struc.xyz' 2025-08-31T10:10:24,045 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp/struc.xyz' 2025-08-31T10:10:24,046 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6/struc.xyz' 2025-08-31T10:10:24,048 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p/struc.xyz' 2025-08-31T10:10:24,049 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4/struc.xyz' 2025-08-31T10:10:24,051 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p/struc.xyz' 2025-08-31T10:10:24,054 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0/struc.xyz' 2025-08-31T10:10:24,056 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1/struc.xyz' 2025-08-31T10:10:24,057 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2/struc.xyz' 2025-08-31T10:10:24,059 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0/struc.xyz' 2025-08-31T10:10:24,061 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1/struc.xyz' 2025-08-31T10:10:24,063 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2/struc.xyz' 2025-08-31T10:10:24,064 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3/struc.xyz' 2025-08-31T10:10:24,066 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1/struc.xyz' 2025-08-31T10:10:24,068 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2/struc.xyz' 2025-08-31T10:10:24,070 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3/struc.xyz' 2025-08-31T10:10:24,071 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0/struc.xyz' 2025-08-31T10:10:24,073 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2/struc.xyz' 2025-08-31T10:10:24,075 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41/struc.xyz' 2025-08-31T10:10:24,077 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42/struc.xyz' 2025-08-31T10:10:24,078 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43/struc.xyz' 2025-08-31T10:10:24,080 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41/struc.xyz' 2025-08-31T10:10:24,081 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42/struc.xyz' 2025-08-31T10:10:24,083 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71/struc.xyz' 2025-08-31T10:10:24,085 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72/struc.xyz' 2025-08-31T10:10:24,086 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71/struc.xyz' 2025-08-31T10:10:24,088 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72/struc.xyz' 2025-08-31T10:10:24,090 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0/struc.xyz' 2025-08-31T10:10:24,091 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1/struc.xyz' 2025-08-31T10:10:24,093 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2/struc.xyz' 2025-08-31T10:10:24,094 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3/struc.xyz' 2025-08-31T10:10:24,096 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41/struc.xyz' 2025-08-31T10:10:24,098 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42/struc.xyz' 2025-08-31T10:10:24,099 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0/struc.xyz' 2025-08-31T10:10:24,101 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2/struc.xyz' 2025-08-31T10:10:24,103 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3/struc.xyz' 2025-08-31T10:10:24,104 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4/struc.xyz' 2025-08-31T10:10:24,107 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114/struc.xyz' 2025-08-31T10:10:24,109 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215/struc.xyz' 2025-08-31T10:10:24,110 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224/struc.xyz' 2025-08-31T10:10:24,112 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300/struc.xyz' 2025-08-31T10:10:24,114 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357/struc.xyz' 2025-08-31T10:10:24,116 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366/struc.xyz' 2025-08-31T10:10:24,118 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412/struc.xyz' 2025-08-31T10:10:24,120 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444/struc.xyz' 2025-08-31T10:10:24,122 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470/struc.xyz' 2025-08-31T10:10:24,124 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691/struc.xyz' 2025-08-31T10:10:24,126 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99/struc.xyz' 2025-08-31T10:10:24,127 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL/struc.xyz' 2025-08-31T10:10:24,129 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR/struc.xyz' 2025-08-31T10:10:24,131 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab/struc.xyz' 2025-08-31T10:10:24,133 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b/struc.xyz' 2025-08-31T10:10:24,135 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII/struc.xyz' 2025-08-31T10:10:24,137 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL/struc.xyz' 2025-08-31T10:10:24,138 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR/struc.xyz' 2025-08-31T10:10:24,140 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab/struc.xyz' 2025-08-31T10:10:24,142 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b/struc.xyz' 2025-08-31T10:10:24,144 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII/struc.xyz' 2025-08-31T10:10:24,147 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1/struc.xyz' 2025-08-31T10:10:24,149 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10/struc.xyz' 2025-08-31T10:10:24,150 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a/struc.xyz' 2025-08-31T10:10:24,152 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b/struc.xyz' 2025-08-31T10:10:24,154 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11/struc.xyz' 2025-08-31T10:10:24,156 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a/struc.xyz' 2025-08-31T10:10:24,157 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b/struc.xyz' 2025-08-31T10:10:24,159 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12/struc.xyz' 2025-08-31T10:10:24,160 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a/struc.xyz' 2025-08-31T10:10:24,162 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b/struc.xyz' 2025-08-31T10:10:24,163 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13/struc.xyz' 2025-08-31T10:10:24,165 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a/struc.xyz' 2025-08-31T10:10:24,166 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b/struc.xyz' 2025-08-31T10:10:24,168 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14/struc.xyz' 2025-08-31T10:10:24,169 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a/struc.xyz' 2025-08-31T10:10:24,171 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b/struc.xyz' 2025-08-31T10:10:24,172 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15/struc.xyz' 2025-08-31T10:10:24,174 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a/struc.xyz' 2025-08-31T10:10:24,175 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b/struc.xyz' 2025-08-31T10:10:24,177 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16/struc.xyz' 2025-08-31T10:10:24,178 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a/struc.xyz' 2025-08-31T10:10:24,180 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b/struc.xyz' 2025-08-31T10:10:24,181 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17/struc.xyz' 2025-08-31T10:10:24,183 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a/struc.xyz' 2025-08-31T10:10:24,184 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b/struc.xyz' 2025-08-31T10:10:24,186 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18/struc.xyz' 2025-08-31T10:10:24,187 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a/struc.xyz' 2025-08-31T10:10:24,189 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b/struc.xyz' 2025-08-31T10:10:24,190 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19/struc.xyz' 2025-08-31T10:10:24,192 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a/struc.xyz' 2025-08-31T10:10:24,193 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b/struc.xyz' 2025-08-31T10:10:24,195 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a/struc.xyz' 2025-08-31T10:10:24,196 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b/struc.xyz' 2025-08-31T10:10:24,198 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2/struc.xyz' 2025-08-31T10:10:24,199 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20/struc.xyz' 2025-08-31T10:10:24,201 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a/struc.xyz' 2025-08-31T10:10:24,203 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b/struc.xyz' 2025-08-31T10:10:24,204 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21/struc.xyz' 2025-08-31T10:10:24,206 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a/struc.xyz' 2025-08-31T10:10:24,208 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b/struc.xyz' 2025-08-31T10:10:24,209 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22/struc.xyz' 2025-08-31T10:10:24,211 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a/struc.xyz' 2025-08-31T10:10:24,213 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b/struc.xyz' 2025-08-31T10:10:24,214 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23/struc.xyz' 2025-08-31T10:10:24,216 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a/struc.xyz' 2025-08-31T10:10:24,218 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b/struc.xyz' 2025-08-31T10:10:24,219 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a/struc.xyz' 2025-08-31T10:10:24,221 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b/struc.xyz' 2025-08-31T10:10:24,223 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3/struc.xyz' 2025-08-31T10:10:24,224 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a/struc.xyz' 2025-08-31T10:10:24,226 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b/struc.xyz' 2025-08-31T10:10:24,228 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4/struc.xyz' 2025-08-31T10:10:24,230 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a/struc.xyz' 2025-08-31T10:10:24,231 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b/struc.xyz' 2025-08-31T10:10:24,233 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5/struc.xyz' 2025-08-31T10:10:24,234 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a/struc.xyz' 2025-08-31T10:10:24,236 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b/struc.xyz' 2025-08-31T10:10:24,237 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6/struc.xyz' 2025-08-31T10:10:24,239 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a/struc.xyz' 2025-08-31T10:10:24,240 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b/struc.xyz' 2025-08-31T10:10:24,242 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7/struc.xyz' 2025-08-31T10:10:24,244 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a/struc.xyz' 2025-08-31T10:10:24,245 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b/struc.xyz' 2025-08-31T10:10:24,247 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8/struc.xyz' 2025-08-31T10:10:24,248 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a/struc.xyz' 2025-08-31T10:10:24,250 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b/struc.xyz' 2025-08-31T10:10:24,251 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9/struc.xyz' 2025-08-31T10:10:24,253 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a/struc.xyz' 2025-08-31T10:10:24,255 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b/struc.xyz' 2025-08-31T10:10:24,257 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o/struc.xyz' 2025-08-31T10:10:24,259 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2/struc.xyz' 2025-08-31T10:10:24,260 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts/struc.xyz' 2025-08-31T10:10:24,262 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3/struc.xyz' 2025-08-31T10:10:24,264 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts/struc.xyz' 2025-08-31T10:10:24,265 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4/struc.xyz' 2025-08-31T10:10:24,267 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts/struc.xyz' 2025-08-31T10:10:24,269 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5/struc.xyz' 2025-08-31T10:10:24,270 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts/struc.xyz' 2025-08-31T10:10:24,272 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6/struc.xyz' 2025-08-31T10:10:24,274 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts/struc.xyz' 2025-08-31T10:10:24,275 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf/struc.xyz' 2025-08-31T10:10:24,277 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2/struc.xyz' 2025-08-31T10:10:24,278 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts/struc.xyz' 2025-08-31T10:10:24,280 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3/struc.xyz' 2025-08-31T10:10:24,282 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts/struc.xyz' 2025-08-31T10:10:24,283 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4/struc.xyz' 2025-08-31T10:10:24,285 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts/struc.xyz' 2025-08-31T10:10:24,287 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5/struc.xyz' 2025-08-31T10:10:24,288 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts/struc.xyz' 2025-08-31T10:10:24,290 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6/struc.xyz' 2025-08-31T10:10:24,292 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts/struc.xyz' 2025-08-31T10:10:24,293 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3/struc.xyz' 2025-08-31T10:10:24,295 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2/struc.xyz' 2025-08-31T10:10:24,297 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts/struc.xyz' 2025-08-31T10:10:24,299 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3/struc.xyz' 2025-08-31T10:10:24,300 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts/struc.xyz' 2025-08-31T10:10:24,302 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4/struc.xyz' 2025-08-31T10:10:24,304 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts/struc.xyz' 2025-08-31T10:10:24,306 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e/struc.xyz' 2025-08-31T10:10:24,308 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1/struc.xyz' 2025-08-31T10:10:24,310 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2/struc.xyz' 2025-08-31T10:10:24,311 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e/struc.xyz' 2025-08-31T10:10:24,313 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1/struc.xyz' 2025-08-31T10:10:24,314 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2/struc.xyz' 2025-08-31T10:10:24,316 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3/struc.xyz' 2025-08-31T10:10:24,317 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e/struc.xyz' 2025-08-31T10:10:24,319 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1/struc.xyz' 2025-08-31T10:10:24,320 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2/struc.xyz' 2025-08-31T10:10:24,322 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3/struc.xyz' 2025-08-31T10:10:24,324 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e/struc.xyz' 2025-08-31T10:10:24,325 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1/struc.xyz' 2025-08-31T10:10:24,327 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2/struc.xyz' 2025-08-31T10:10:24,328 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3/struc.xyz' 2025-08-31T10:10:24,330 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1/struc.xyz' 2025-08-31T10:10:24,331 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2/struc.xyz' 2025-08-31T10:10:24,333 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3/struc.xyz' 2025-08-31T10:10:24,335 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e/struc.xyz' 2025-08-31T10:10:24,336 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p/struc.xyz' 2025-08-31T10:10:24,338 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e/struc.xyz' 2025-08-31T10:10:24,339 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p/struc.xyz' 2025-08-31T10:10:24,341 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e/struc.xyz' 2025-08-31T10:10:24,342 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int/struc.xyz' 2025-08-31T10:10:24,344 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1/struc.xyz' 2025-08-31T10:10:24,346 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3/struc.xyz' 2025-08-31T10:10:24,347 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e/struc.xyz' 2025-08-31T10:10:24,349 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1/struc.xyz' 2025-08-31T10:10:24,350 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2/struc.xyz' 2025-08-31T10:10:24,352 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3/struc.xyz' 2025-08-31T10:10:24,353 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4/struc.xyz' 2025-08-31T10:10:24,355 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5/struc.xyz' 2025-08-31T10:10:24,357 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6/struc.xyz' 2025-08-31T10:10:24,358 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e/struc.xyz' 2025-08-31T10:10:24,360 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1/struc.xyz' 2025-08-31T10:10:24,362 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e/struc.xyz' 2025-08-31T10:10:24,363 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1/struc.xyz' 2025-08-31T10:10:24,365 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2/struc.xyz' 2025-08-31T10:10:24,367 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene/struc.xyz' 2025-08-31T10:10:24,368 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me/struc.xyz' 2025-08-31T10:10:24,370 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr/struc.xyz' 2025-08-31T10:10:24,372 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar/struc.xyz' 2025-08-31T10:10:24,374 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2/struc.xyz' 2025-08-31T10:10:24,376 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3/struc.xyz' 2025-08-31T10:10:24,377 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4/struc.xyz' 2025-08-31T10:10:24,379 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz/struc.xyz' 2025-08-31T10:10:24,381 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr/struc.xyz' 2025-08-31T10:10:24,383 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe/struc.xyz' 2025-08-31T10:10:24,384 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2/struc.xyz' 2025-08-31T10:10:24,386 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar/struc.xyz' 2025-08-31T10:10:24,387 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne/struc.xyz' 2025-08-31T10:10:24,389 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6/struc.xyz' 2025-08-31T10:10:24,390 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar/struc.xyz' 2025-08-31T10:10:24,392 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne/struc.xyz' 2025-08-31T10:10:24,393 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf/struc.xyz' 2025-08-31T10:10:24,395 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr/struc.xyz' 2025-08-31T10:10:24,396 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr/struc.xyz' 2025-08-31T10:10:24,398 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe/struc.xyz' 2025-08-31T10:10:24,399 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr/struc.xyz' 2025-08-31T10:10:24,401 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2/struc.xyz' 2025-08-31T10:10:24,402 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3/struc.xyz' 2025-08-31T10:10:24,404 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne/struc.xyz' 2025-08-31T10:10:24,405 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2/struc.xyz' 2025-08-31T10:10:24,407 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3/struc.xyz' 2025-08-31T10:10:24,408 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4/struc.xyz' 2025-08-31T10:10:24,410 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6/struc.xyz' 2025-08-31T10:10:24,413 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1/struc.xyz' 2025-08-31T10:10:24,415 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10/struc.xyz' 2025-08-31T10:10:24,417 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11/struc.xyz' 2025-08-31T10:10:24,418 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12/struc.xyz' 2025-08-31T10:10:24,420 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13/struc.xyz' 2025-08-31T10:10:24,422 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15/struc.xyz' 2025-08-31T10:10:24,423 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16/struc.xyz' 2025-08-31T10:10:24,425 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17/struc.xyz' 2025-08-31T10:10:24,427 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18/struc.xyz' 2025-08-31T10:10:24,429 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19/struc.xyz' 2025-08-31T10:10:24,430 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2/struc.xyz' 2025-08-31T10:10:24,432 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20/struc.xyz' 2025-08-31T10:10:24,434 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21/struc.xyz' 2025-08-31T10:10:24,435 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22/struc.xyz' 2025-08-31T10:10:24,437 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23/struc.xyz' 2025-08-31T10:10:24,439 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24/struc.xyz' 2025-08-31T10:10:24,440 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25/struc.xyz' 2025-08-31T10:10:24,442 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26/struc.xyz' 2025-08-31T10:10:24,444 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27/struc.xyz' 2025-08-31T10:10:24,446 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28/struc.xyz' 2025-08-31T10:10:24,447 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29/struc.xyz' 2025-08-31T10:10:24,449 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3/struc.xyz' 2025-08-31T10:10:24,451 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30/struc.xyz' 2025-08-31T10:10:24,452 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31/struc.xyz' 2025-08-31T10:10:24,454 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32/struc.xyz' 2025-08-31T10:10:24,456 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33/struc.xyz' 2025-08-31T10:10:24,457 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34/struc.xyz' 2025-08-31T10:10:24,459 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35/struc.xyz' 2025-08-31T10:10:24,461 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36/struc.xyz' 2025-08-31T10:10:24,462 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37/struc.xyz' 2025-08-31T10:10:24,464 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38/struc.xyz' 2025-08-31T10:10:24,466 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39/struc.xyz' 2025-08-31T10:10:24,467 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4/struc.xyz' 2025-08-31T10:10:24,469 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40/struc.xyz' 2025-08-31T10:10:24,470 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41/struc.xyz' 2025-08-31T10:10:24,472 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42/struc.xyz' 2025-08-31T10:10:24,473 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43/struc.xyz' 2025-08-31T10:10:24,475 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44/struc.xyz' 2025-08-31T10:10:24,478 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45/struc.xyz' 2025-08-31T10:10:24,480 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5/struc.xyz' 2025-08-31T10:10:24,482 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6/struc.xyz' 2025-08-31T10:10:24,483 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7/struc.xyz' 2025-08-31T10:10:24,485 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8/struc.xyz' 2025-08-31T10:10:24,487 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9/struc.xyz' 2025-08-31T10:10:24,488 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1/struc.xyz' 2025-08-31T10:10:24,490 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10/struc.xyz' 2025-08-31T10:10:24,491 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11/struc.xyz' 2025-08-31T10:10:24,493 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12/struc.xyz' 2025-08-31T10:10:24,494 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13/struc.xyz' 2025-08-31T10:10:24,496 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15/struc.xyz' 2025-08-31T10:10:24,498 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16/struc.xyz' 2025-08-31T10:10:24,499 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17/struc.xyz' 2025-08-31T10:10:24,501 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18/struc.xyz' 2025-08-31T10:10:24,503 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19/struc.xyz' 2025-08-31T10:10:24,504 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2/struc.xyz' 2025-08-31T10:10:24,506 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20/struc.xyz' 2025-08-31T10:10:24,507 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21/struc.xyz' 2025-08-31T10:10:24,509 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22/struc.xyz' 2025-08-31T10:10:24,511 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23/struc.xyz' 2025-08-31T10:10:24,512 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24/struc.xyz' 2025-08-31T10:10:24,514 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25/struc.xyz' 2025-08-31T10:10:24,515 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26/struc.xyz' 2025-08-31T10:10:24,517 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27/struc.xyz' 2025-08-31T10:10:24,519 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28/struc.xyz' 2025-08-31T10:10:24,520 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29/struc.xyz' 2025-08-31T10:10:24,522 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3/struc.xyz' 2025-08-31T10:10:24,524 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30/struc.xyz' 2025-08-31T10:10:24,525 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31/struc.xyz' 2025-08-31T10:10:24,527 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32/struc.xyz' 2025-08-31T10:10:24,529 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33/struc.xyz' 2025-08-31T10:10:24,531 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34/struc.xyz' 2025-08-31T10:10:24,532 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35/struc.xyz' 2025-08-31T10:10:24,534 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36/struc.xyz' 2025-08-31T10:10:24,536 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37/struc.xyz' 2025-08-31T10:10:24,537 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38/struc.xyz' 2025-08-31T10:10:24,539 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39/struc.xyz' 2025-08-31T10:10:24,541 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4/struc.xyz' 2025-08-31T10:10:24,543 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40/struc.xyz' 2025-08-31T10:10:24,544 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41/struc.xyz' 2025-08-31T10:10:24,546 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42/struc.xyz' 2025-08-31T10:10:24,547 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43/struc.xyz' 2025-08-31T10:10:24,549 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44/struc.xyz' 2025-08-31T10:10:24,550 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45/struc.xyz' 2025-08-31T10:10:24,552 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5/struc.xyz' 2025-08-31T10:10:24,554 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6/struc.xyz' 2025-08-31T10:10:24,555 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7/struc.xyz' 2025-08-31T10:10:24,557 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8/struc.xyz' 2025-08-31T10:10:24,558 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9/struc.xyz' 2025-08-31T10:10:24,561 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/01/struc.xyz' 2025-08-31T10:10:24,562 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a/struc.xyz' 2025-08-31T10:10:24,564 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/02/struc.xyz' 2025-08-31T10:10:24,565 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a/struc.xyz' 2025-08-31T10:10:24,567 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b/struc.xyz' 2025-08-31T10:10:24,569 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/03/struc.xyz' 2025-08-31T10:10:24,570 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a/struc.xyz' 2025-08-31T10:10:24,572 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/04/struc.xyz' 2025-08-31T10:10:24,573 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a/struc.xyz' 2025-08-31T10:10:24,575 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/05/struc.xyz' 2025-08-31T10:10:24,576 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a/struc.xyz' 2025-08-31T10:10:24,578 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/06/struc.xyz' 2025-08-31T10:10:24,580 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a/struc.xyz' 2025-08-31T10:10:24,581 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b/struc.xyz' 2025-08-31T10:10:24,583 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/07/struc.xyz' 2025-08-31T10:10:24,585 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a/struc.xyz' 2025-08-31T10:10:24,587 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b/struc.xyz' 2025-08-31T10:10:24,588 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/08/struc.xyz' 2025-08-31T10:10:24,590 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a/struc.xyz' 2025-08-31T10:10:24,591 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/09/struc.xyz' 2025-08-31T10:10:24,593 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a/struc.xyz' 2025-08-31T10:10:24,595 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/10/struc.xyz' 2025-08-31T10:10:24,596 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a/struc.xyz' 2025-08-31T10:10:24,598 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b/struc.xyz' 2025-08-31T10:10:24,600 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/11/struc.xyz' 2025-08-31T10:10:24,601 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a/struc.xyz' 2025-08-31T10:10:24,603 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/12/struc.xyz' 2025-08-31T10:10:24,605 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a/struc.xyz' 2025-08-31T10:10:24,607 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/13/struc.xyz' 2025-08-31T10:10:24,608 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a/struc.xyz' 2025-08-31T10:10:24,610 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/14/struc.xyz' 2025-08-31T10:10:24,612 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a/struc.xyz' 2025-08-31T10:10:24,614 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b/struc.xyz' 2025-08-31T10:10:24,615 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/15/struc.xyz' 2025-08-31T10:10:24,617 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a/struc.xyz' 2025-08-31T10:10:24,619 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b/struc.xyz' 2025-08-31T10:10:24,621 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/16/struc.xyz' 2025-08-31T10:10:24,622 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a/struc.xyz' 2025-08-31T10:10:24,624 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b/struc.xyz' 2025-08-31T10:10:24,626 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/17/struc.xyz' 2025-08-31T10:10:24,627 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a/struc.xyz' 2025-08-31T10:10:24,629 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b/struc.xyz' 2025-08-31T10:10:24,630 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/18/struc.xyz' 2025-08-31T10:10:24,632 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a/struc.xyz' 2025-08-31T10:10:24,633 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b/struc.xyz' 2025-08-31T10:10:24,635 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/19/struc.xyz' 2025-08-31T10:10:24,637 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a/struc.xyz' 2025-08-31T10:10:24,638 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b/struc.xyz' 2025-08-31T10:10:24,640 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/20/struc.xyz' 2025-08-31T10:10:24,641 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a/struc.xyz' 2025-08-31T10:10:24,643 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b/struc.xyz' 2025-08-31T10:10:24,644 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/21/struc.xyz' 2025-08-31T10:10:24,646 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a/struc.xyz' 2025-08-31T10:10:24,647 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b/struc.xyz' 2025-08-31T10:10:24,649 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/22/struc.xyz' 2025-08-31T10:10:24,651 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a/struc.xyz' 2025-08-31T10:10:24,652 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b/struc.xyz' 2025-08-31T10:10:24,658 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/01/struc.xyz' 2025-08-31T10:10:24,659 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A/struc.xyz' 2025-08-31T10:10:24,661 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B/struc.xyz' 2025-08-31T10:10:24,662 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/02/struc.xyz' 2025-08-31T10:10:24,664 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A/struc.xyz' 2025-08-31T10:10:24,666 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B/struc.xyz' 2025-08-31T10:10:24,667 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/03/struc.xyz' 2025-08-31T10:10:24,669 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A/struc.xyz' 2025-08-31T10:10:24,670 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B/struc.xyz' 2025-08-31T10:10:24,672 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/04/struc.xyz' 2025-08-31T10:10:24,673 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A/struc.xyz' 2025-08-31T10:10:24,675 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B/struc.xyz' 2025-08-31T10:10:24,677 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/05/struc.xyz' 2025-08-31T10:10:24,678 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A/struc.xyz' 2025-08-31T10:10:24,680 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B/struc.xyz' 2025-08-31T10:10:24,682 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/06/struc.xyz' 2025-08-31T10:10:24,684 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A/struc.xyz' 2025-08-31T10:10:24,685 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B/struc.xyz' 2025-08-31T10:10:24,687 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/07/struc.xyz' 2025-08-31T10:10:24,689 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A/struc.xyz' 2025-08-31T10:10:24,690 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B/struc.xyz' 2025-08-31T10:10:24,692 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/08/struc.xyz' 2025-08-31T10:10:24,694 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A/struc.xyz' 2025-08-31T10:10:24,696 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B/struc.xyz' 2025-08-31T10:10:24,698 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/09/struc.xyz' 2025-08-31T10:10:24,699 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A/struc.xyz' 2025-08-31T10:10:24,701 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B/struc.xyz' 2025-08-31T10:10:24,703 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/10/struc.xyz' 2025-08-31T10:10:24,705 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A/struc.xyz' 2025-08-31T10:10:24,706 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B/struc.xyz' 2025-08-31T10:10:24,708 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/11/struc.xyz' 2025-08-31T10:10:24,710 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A/struc.xyz' 2025-08-31T10:10:24,711 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B/struc.xyz' 2025-08-31T10:10:24,713 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/12/struc.xyz' 2025-08-31T10:10:24,714 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A/struc.xyz' 2025-08-31T10:10:24,716 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B/struc.xyz' 2025-08-31T10:10:24,717 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/13/struc.xyz' 2025-08-31T10:10:24,719 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A/struc.xyz' 2025-08-31T10:10:24,721 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B/struc.xyz' 2025-08-31T10:10:24,722 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/14/struc.xyz' 2025-08-31T10:10:24,724 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A/struc.xyz' 2025-08-31T10:10:24,725 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B/struc.xyz' 2025-08-31T10:10:24,727 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/15/struc.xyz' 2025-08-31T10:10:24,729 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A/struc.xyz' 2025-08-31T10:10:24,730 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B/struc.xyz' 2025-08-31T10:10:24,732 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/16/struc.xyz' 2025-08-31T10:10:24,734 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A/struc.xyz' 2025-08-31T10:10:24,735 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B/struc.xyz' 2025-08-31T10:10:24,737 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/17/struc.xyz' 2025-08-31T10:10:24,739 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A/struc.xyz' 2025-08-31T10:10:24,740 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B/struc.xyz' 2025-08-31T10:10:24,742 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/18/struc.xyz' 2025-08-31T10:10:24,744 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A/struc.xyz' 2025-08-31T10:10:24,745 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B/struc.xyz' 2025-08-31T10:10:24,747 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/19/struc.xyz' 2025-08-31T10:10:24,748 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A/struc.xyz' 2025-08-31T10:10:24,750 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B/struc.xyz' 2025-08-31T10:10:24,752 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/20/struc.xyz' 2025-08-31T10:10:24,753 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A/struc.xyz' 2025-08-31T10:10:24,755 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B/struc.xyz' 2025-08-31T10:10:24,757 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/21/struc.xyz' 2025-08-31T10:10:24,758 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A/struc.xyz' 2025-08-31T10:10:24,760 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B/struc.xyz' 2025-08-31T10:10:24,762 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/22/struc.xyz' 2025-08-31T10:10:24,763 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A/struc.xyz' 2025-08-31T10:10:24,765 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B/struc.xyz' 2025-08-31T10:10:24,767 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/23/struc.xyz' 2025-08-31T10:10:24,769 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A/struc.xyz' 2025-08-31T10:10:24,770 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B/struc.xyz' 2025-08-31T10:10:24,772 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/24/struc.xyz' 2025-08-31T10:10:24,774 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A/struc.xyz' 2025-08-31T10:10:24,776 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B/struc.xyz' 2025-08-31T10:10:24,778 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/25/struc.xyz' 2025-08-31T10:10:24,779 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A/struc.xyz' 2025-08-31T10:10:24,781 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B/struc.xyz' 2025-08-31T10:10:24,783 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/26/struc.xyz' 2025-08-31T10:10:24,785 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A/struc.xyz' 2025-08-31T10:10:24,786 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B/struc.xyz' 2025-08-31T10:10:24,788 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/27/struc.xyz' 2025-08-31T10:10:24,790 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A/struc.xyz' 2025-08-31T10:10:24,791 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B/struc.xyz' 2025-08-31T10:10:24,793 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/28/struc.xyz' 2025-08-31T10:10:24,794 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A/struc.xyz' 2025-08-31T10:10:24,796 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B/struc.xyz' 2025-08-31T10:10:24,798 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/29/struc.xyz' 2025-08-31T10:10:24,799 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A/struc.xyz' 2025-08-31T10:10:24,801 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B/struc.xyz' 2025-08-31T10:10:24,802 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/30/struc.xyz' 2025-08-31T10:10:24,804 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A/struc.xyz' 2025-08-31T10:10:24,805 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B/struc.xyz' 2025-08-31T10:10:24,807 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/31/struc.xyz' 2025-08-31T10:10:24,809 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A/struc.xyz' 2025-08-31T10:10:24,810 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B/struc.xyz' 2025-08-31T10:10:24,812 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/32/struc.xyz' 2025-08-31T10:10:24,813 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A/struc.xyz' 2025-08-31T10:10:24,815 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B/struc.xyz' 2025-08-31T10:10:24,817 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/33/struc.xyz' 2025-08-31T10:10:24,818 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A/struc.xyz' 2025-08-31T10:10:24,820 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B/struc.xyz' 2025-08-31T10:10:24,821 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/34/struc.xyz' 2025-08-31T10:10:24,823 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A/struc.xyz' 2025-08-31T10:10:24,825 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B/struc.xyz' 2025-08-31T10:10:24,826 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/35/struc.xyz' 2025-08-31T10:10:24,828 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A/struc.xyz' 2025-08-31T10:10:24,830 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B/struc.xyz' 2025-08-31T10:10:24,832 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/36/struc.xyz' 2025-08-31T10:10:24,833 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A/struc.xyz' 2025-08-31T10:10:24,835 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B/struc.xyz' 2025-08-31T10:10:24,837 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/37/struc.xyz' 2025-08-31T10:10:24,839 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A/struc.xyz' 2025-08-31T10:10:24,841 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B/struc.xyz' 2025-08-31T10:10:24,842 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/38/struc.xyz' 2025-08-31T10:10:24,844 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A/struc.xyz' 2025-08-31T10:10:24,846 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B/struc.xyz' 2025-08-31T10:10:24,848 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/39/struc.xyz' 2025-08-31T10:10:24,850 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A/struc.xyz' 2025-08-31T10:10:24,851 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B/struc.xyz' 2025-08-31T10:10:24,853 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/40/struc.xyz' 2025-08-31T10:10:24,855 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A/struc.xyz' 2025-08-31T10:10:24,856 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B/struc.xyz' 2025-08-31T10:10:24,858 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/41/struc.xyz' 2025-08-31T10:10:24,860 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A/struc.xyz' 2025-08-31T10:10:24,862 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B/struc.xyz' 2025-08-31T10:10:24,864 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/42/struc.xyz' 2025-08-31T10:10:24,865 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A/struc.xyz' 2025-08-31T10:10:24,867 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B/struc.xyz' 2025-08-31T10:10:24,869 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/43/struc.xyz' 2025-08-31T10:10:24,870 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A/struc.xyz' 2025-08-31T10:10:24,872 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B/struc.xyz' 2025-08-31T10:10:24,874 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/44/struc.xyz' 2025-08-31T10:10:24,875 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A/struc.xyz' 2025-08-31T10:10:24,877 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B/struc.xyz' 2025-08-31T10:10:24,878 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/45/struc.xyz' 2025-08-31T10:10:24,880 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A/struc.xyz' 2025-08-31T10:10:24,881 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B/struc.xyz' 2025-08-31T10:10:24,883 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/46/struc.xyz' 2025-08-31T10:10:24,885 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A/struc.xyz' 2025-08-31T10:10:24,886 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B/struc.xyz' 2025-08-31T10:10:24,888 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/47/struc.xyz' 2025-08-31T10:10:24,890 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A/struc.xyz' 2025-08-31T10:10:24,891 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B/struc.xyz' 2025-08-31T10:10:24,893 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/48/struc.xyz' 2025-08-31T10:10:24,894 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A/struc.xyz' 2025-08-31T10:10:24,896 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B/struc.xyz' 2025-08-31T10:10:24,898 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/49/struc.xyz' 2025-08-31T10:10:24,900 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A/struc.xyz' 2025-08-31T10:10:24,901 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B/struc.xyz' 2025-08-31T10:10:24,903 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/50/struc.xyz' 2025-08-31T10:10:24,905 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A/struc.xyz' 2025-08-31T10:10:24,906 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B/struc.xyz' 2025-08-31T10:10:24,908 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/51/struc.xyz' 2025-08-31T10:10:24,910 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A/struc.xyz' 2025-08-31T10:10:24,912 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B/struc.xyz' 2025-08-31T10:10:24,913 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/52/struc.xyz' 2025-08-31T10:10:24,915 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A/struc.xyz' 2025-08-31T10:10:24,917 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B/struc.xyz' 2025-08-31T10:10:24,919 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/53/struc.xyz' 2025-08-31T10:10:24,920 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A/struc.xyz' 2025-08-31T10:10:24,922 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B/struc.xyz' 2025-08-31T10:10:24,924 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/54/struc.xyz' 2025-08-31T10:10:24,926 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A/struc.xyz' 2025-08-31T10:10:24,927 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B/struc.xyz' 2025-08-31T10:10:24,929 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/55/struc.xyz' 2025-08-31T10:10:24,931 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A/struc.xyz' 2025-08-31T10:10:24,932 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B/struc.xyz' 2025-08-31T10:10:24,934 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/56/struc.xyz' 2025-08-31T10:10:24,936 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A/struc.xyz' 2025-08-31T10:10:24,937 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B/struc.xyz' 2025-08-31T10:10:24,939 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/57/struc.xyz' 2025-08-31T10:10:24,941 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A/struc.xyz' 2025-08-31T10:10:24,943 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B/struc.xyz' 2025-08-31T10:10:24,944 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/58/struc.xyz' 2025-08-31T10:10:24,946 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A/struc.xyz' 2025-08-31T10:10:24,948 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B/struc.xyz' 2025-08-31T10:10:24,950 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/59/struc.xyz' 2025-08-31T10:10:24,951 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A/struc.xyz' 2025-08-31T10:10:24,953 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B/struc.xyz' 2025-08-31T10:10:24,954 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/60/struc.xyz' 2025-08-31T10:10:24,956 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A/struc.xyz' 2025-08-31T10:10:24,958 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B/struc.xyz' 2025-08-31T10:10:24,959 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/61/struc.xyz' 2025-08-31T10:10:24,961 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A/struc.xyz' 2025-08-31T10:10:24,962 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B/struc.xyz' 2025-08-31T10:10:24,964 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/62/struc.xyz' 2025-08-31T10:10:24,966 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A/struc.xyz' 2025-08-31T10:10:24,967 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B/struc.xyz' 2025-08-31T10:10:24,969 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/63/struc.xyz' 2025-08-31T10:10:24,971 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A/struc.xyz' 2025-08-31T10:10:24,972 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B/struc.xyz' 2025-08-31T10:10:24,974 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/64/struc.xyz' 2025-08-31T10:10:24,976 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A/struc.xyz' 2025-08-31T10:10:24,977 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B/struc.xyz' 2025-08-31T10:10:24,979 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/65/struc.xyz' 2025-08-31T10:10:24,981 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A/struc.xyz' 2025-08-31T10:10:24,982 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B/struc.xyz' 2025-08-31T10:10:24,984 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/66/struc.xyz' 2025-08-31T10:10:24,986 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A/struc.xyz' 2025-08-31T10:10:24,987 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B/struc.xyz' 2025-08-31T10:10:24,990 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1/struc.xyz' 2025-08-31T10:10:24,991 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10/struc.xyz' 2025-08-31T10:10:24,993 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11/struc.xyz' 2025-08-31T10:10:24,995 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12/struc.xyz' 2025-08-31T10:10:24,997 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13/struc.xyz' 2025-08-31T10:10:24,998 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14/struc.xyz' 2025-08-31T10:10:25,000 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15/struc.xyz' 2025-08-31T10:10:25,002 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2/struc.xyz' 2025-08-31T10:10:25,004 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3/struc.xyz' 2025-08-31T10:10:25,006 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4/struc.xyz' 2025-08-31T10:10:25,007 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5/struc.xyz' 2025-08-31T10:10:25,009 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6/struc.xyz' 2025-08-31T10:10:25,011 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7/struc.xyz' 2025-08-31T10:10:25,013 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8/struc.xyz' 2025-08-31T10:10:25,015 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9/struc.xyz' 2025-08-31T10:10:25,016 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1/struc.xyz' 2025-08-31T10:10:25,018 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2/struc.xyz' 2025-08-31T10:10:25,020 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3/struc.xyz' 2025-08-31T10:10:25,022 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4/struc.xyz' 2025-08-31T10:10:25,025 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h/struc.xyz' 2025-08-31T10:10:25,026 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz' 2025-08-31T10:10:25,028 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz' 2025-08-31T10:10:25,030 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz' 2025-08-31T10:10:25,031 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz' 2025-08-31T10:10:25,033 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o/struc.xyz' 2025-08-31T10:10:25,034 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+/struc.xyz' 2025-08-31T10:10:25,036 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz' 2025-08-31T10:10:25,037 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz' 2025-08-31T10:10:25,039 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz' 2025-08-31T10:10:25,040 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz' 2025-08-31T10:10:25,042 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he/struc.xyz' 2025-08-31T10:10:25,043 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+/struc.xyz' 2025-08-31T10:10:25,045 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz' 2025-08-31T10:10:25,046 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz' 2025-08-31T10:10:25,048 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz' 2025-08-31T10:10:25,049 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz' 2025-08-31T10:10:25,051 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3/struc.xyz' 2025-08-31T10:10:25,052 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+/struc.xyz' 2025-08-31T10:10:25,054 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz' 2025-08-31T10:10:25,055 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz' 2025-08-31T10:10:25,057 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz' 2025-08-31T10:10:25,059 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz' 2025-08-31T10:10:25,064 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1/struc.xyz' 2025-08-31T10:10:25,065 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13/struc.xyz' 2025-08-31T10:10:25,067 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A/struc.xyz' 2025-08-31T10:10:25,069 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B/struc.xyz' 2025-08-31T10:10:25,070 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18/struc.xyz' 2025-08-31T10:10:25,072 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A/struc.xyz' 2025-08-31T10:10:25,074 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B/struc.xyz' 2025-08-31T10:10:25,075 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2/struc.xyz' 2025-08-31T10:10:25,077 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20/struc.xyz' 2025-08-31T10:10:25,078 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24/struc.xyz' 2025-08-31T10:10:25,080 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A/struc.xyz' 2025-08-31T10:10:25,082 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25/struc.xyz' 2025-08-31T10:10:25,084 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A/struc.xyz' 2025-08-31T10:10:25,085 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B/struc.xyz' 2025-08-31T10:10:25,087 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34/struc.xyz' 2025-08-31T10:10:25,089 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39/struc.xyz' 2025-08-31T10:10:25,090 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4/struc.xyz' 2025-08-31T10:10:25,092 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40/struc.xyz' 2025-08-31T10:10:25,094 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43/struc.xyz' 2025-08-31T10:10:25,095 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45/struc.xyz' 2025-08-31T10:10:25,097 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47/struc.xyz' 2025-08-31T10:10:25,099 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48/struc.xyz' 2025-08-31T10:10:25,101 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A/struc.xyz' 2025-08-31T10:10:25,102 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B/struc.xyz' 2025-08-31T10:10:25,104 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5/struc.xyz' 2025-08-31T10:10:25,106 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58/struc.xyz' 2025-08-31T10:10:25,108 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59/struc.xyz' 2025-08-31T10:10:25,110 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A/struc.xyz' 2025-08-31T10:10:25,111 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B/struc.xyz' 2025-08-31T10:10:25,113 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6/struc.xyz' 2025-08-31T10:10:25,114 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68/struc.xyz' 2025-08-31T10:10:25,116 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A/struc.xyz' 2025-08-31T10:10:25,117 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B/struc.xyz' 2025-08-31T10:10:25,119 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73/struc.xyz' 2025-08-31T10:10:25,120 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8/struc.xyz' 2025-08-31T10:10:25,122 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A/struc.xyz' 2025-08-31T10:10:25,123 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B/struc.xyz' 2025-08-31T10:10:25,125 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a/struc.xyz' 2025-08-31T10:10:25,126 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b/struc.xyz' 2025-08-31T10:10:25,128 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr/struc.xyz' 2025-08-31T10:10:25,129 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz' 2025-08-31T10:10:25,131 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4/struc.xyz' 2025-08-31T10:10:25,132 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20/struc.xyz' 2025-08-31T10:10:25,134 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12/struc.xyz' 2025-08-31T10:10:25,135 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n/struc.xyz' 2025-08-31T10:10:25,137 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14/struc.xyz' 2025-08-31T10:10:25,138 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n/struc.xyz' 2025-08-31T10:10:25,140 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20/struc.xyz' 2025-08-31T10:10:25,141 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n/struc.xyz' 2025-08-31T10:10:25,143 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21/struc.xyz' 2025-08-31T10:10:25,144 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n/struc.xyz' 2025-08-31T10:10:25,146 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25/struc.xyz' 2025-08-31T10:10:25,147 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n/struc.xyz' 2025-08-31T10:10:25,149 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s/struc.xyz' 2025-08-31T10:10:25,150 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-/struc.xyz' 2025-08-31T10:10:25,152 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O/struc.xyz' 2025-08-31T10:10:25,153 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS/struc.xyz' 2025-08-31T10:10:25,155 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S/struc.xyz' 2025-08-31T10:10:25,157 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS/struc.xyz' 2025-08-31T10:10:25,158 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64/struc.xyz' 2025-08-31T10:10:25,160 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67/struc.xyz' 2025-08-31T10:10:25,162 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71/struc.xyz' 2025-08-31T10:10:25,163 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74/struc.xyz' 2025-08-31T10:10:25,165 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76/struc.xyz' 2025-08-31T10:10:25,166 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78/struc.xyz' 2025-08-31T10:10:25,168 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80/struc.xyz' 2025-08-31T10:10:25,170 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH/struc.xyz' 2025-08-31T10:10:25,171 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr/struc.xyz' 2025-08-31T10:10:25,173 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl/struc.xyz' 2025-08-31T10:10:25,175 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2/struc.xyz' 2025-08-31T10:10:25,177 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm/struc.xyz' 2025-08-31T10:10:25,178 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O/struc.xyz' 2025-08-31T10:10:25,180 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1/struc.xyz' 2025-08-31T10:10:25,182 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20/struc.xyz' 2025-08-31T10:10:25,183 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH/struc.xyz' 2025-08-31T10:10:25,185 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl/struc.xyz' 2025-08-31T10:10:25,186 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02/struc.xyz' 2025-08-31T10:10:25,188 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10/struc.xyz' 2025-08-31T10:10:25,189 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17/struc.xyz' 2025-08-31T10:10:25,191 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al/struc.xyz' 2025-08-31T10:10:25,193 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl/struc.xyz' 2025-08-31T10:10:25,195 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3/struc.xyz' 2025-08-31T10:10:25,197 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar/struc.xyz' 2025-08-31T10:10:25,198 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2/struc.xyz' 2025-08-31T10:10:25,200 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3/struc.xyz' 2025-08-31T10:10:25,202 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4/struc.xyz' 2025-08-31T10:10:25,203 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b/struc.xyz' 2025-08-31T10:10:25,205 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2/struc.xyz' 2025-08-31T10:10:25,206 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be/struc.xyz' 2025-08-31T10:10:25,208 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+/struc.xyz' 2025-08-31T10:10:25,210 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+/struc.xyz' 2025-08-31T10:10:25,211 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c/struc.xyz' 2025-08-31T10:10:25,214 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2/struc.xyz' 2025-08-31T10:10:25,216 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar/struc.xyz' 2025-08-31T10:10:25,217 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne/struc.xyz' 2025-08-31T10:10:25,219 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p/struc.xyz' 2025-08-31T10:10:25,221 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca/struc.xyz' 2025-08-31T10:10:25,222 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao/struc.xyz' 2025-08-31T10:10:25,224 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2/struc.xyz' 2025-08-31T10:10:25,226 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2/struc.xyz' 2025-08-31T10:10:25,227 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s/struc.xyz' 2025-08-31T10:10:25,229 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp/struc.xyz' 2025-08-31T10:10:25,231 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3/struc.xyz' 2025-08-31T10:10:25,232 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f/struc.xyz' 2025-08-31T10:10:25,234 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl/struc.xyz' 2025-08-31T10:10:25,235 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2/struc.xyz' 2025-08-31T10:10:25,237 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf/struc.xyz' 2025-08-31T10:10:25,239 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f/struc.xyz' 2025-08-31T10:10:25,240 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+/struc.xyz' 2025-08-31T10:10:25,242 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic/struc.xyz' 2025-08-31T10:10:25,244 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h/struc.xyz' 2025-08-31T10:10:25,245 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2/struc.xyz' 2025-08-31T10:10:25,247 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25/struc.xyz' 2025-08-31T10:10:25,248 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5/struc.xyz' 2025-08-31T10:10:25,250 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75/struc.xyz' 2025-08-31T10:10:25,252 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2/struc.xyz' 2025-08-31T10:10:25,253 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis/struc.xyz' 2025-08-31T10:10:25,255 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans/struc.xyz' 2025-08-31T10:10:25,257 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p/struc.xyz' 2025-08-31T10:10:25,258 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s/struc.xyz' 2025-08-31T10:10:25,260 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2/struc.xyz' 2025-08-31T10:10:25,261 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis/struc.xyz' 2025-08-31T10:10:25,263 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+/struc.xyz' 2025-08-31T10:10:25,264 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2/struc.xyz' 2025-08-31T10:10:25,266 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl/struc.xyz' 2025-08-31T10:10:25,267 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp/struc.xyz' 2025-08-31T10:10:25,269 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn/struc.xyz' 2025-08-31T10:10:25,270 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts/struc.xyz' 2025-08-31T10:10:25,272 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco/struc.xyz' 2025-08-31T10:10:25,273 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots/struc.xyz' 2025-08-31T10:10:25,275 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he/struc.xyz' 2025-08-31T10:10:25,276 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+/struc.xyz' 2025-08-31T10:10:25,278 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf/struc.xyz' 2025-08-31T10:10:25,279 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr/struc.xyz' 2025-08-31T10:10:25,281 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe/struc.xyz' 2025-08-31T10:10:25,282 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts/struc.xyz' 2025-08-31T10:10:25,284 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2/struc.xyz' 2025-08-31T10:10:25,286 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts/struc.xyz' 2025-08-31T10:10:25,287 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc/struc.xyz' 2025-08-31T10:10:25,289 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn/struc.xyz' 2025-08-31T10:10:25,290 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo/struc.xyz' 2025-08-31T10:10:25,292 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k/struc.xyz' 2025-08-31T10:10:25,293 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf/struc.xyz' 2025-08-31T10:10:25,295 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr/struc.xyz' 2025-08-31T10:10:25,296 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2/struc.xyz' 2025-08-31T10:10:25,298 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3/struc.xyz' 2025-08-31T10:10:25,299 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg/struc.xyz' 2025-08-31T10:10:25,301 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+/struc.xyz' 2025-08-31T10:10:25,302 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs/struc.xyz' 2025-08-31T10:10:25,304 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne/struc.xyz' 2025-08-31T10:10:25,305 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3/struc.xyz' 2025-08-31T10:10:25,307 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4/struc.xyz' 2025-08-31T10:10:25,309 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz' 2025-08-31T10:10:25,310 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz' 2025-08-31T10:10:25,312 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3/struc.xyz' 2025-08-31T10:10:25,314 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p/struc.xyz' 2025-08-31T10:10:25,315 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o/struc.xyz' 2025-08-31T10:10:25,317 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo/struc.xyz' 2025-08-31T10:10:25,318 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh/struc.xyz' 2025-08-31T10:10:25,320 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1/struc.xyz' 2025-08-31T10:10:25,322 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s/struc.xyz' 2025-08-31T10:10:25,323 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh/struc.xyz' 2025-08-31T10:10:25,325 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh/struc.xyz' 2025-08-31T10:10:25,327 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si/struc.xyz' 2025-08-31T10:10:25,328 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+/struc.xyz' 2025-08-31T10:10:25,330 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4/struc.xyz' 2025-08-31T10:10:25,332 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2/struc.xyz' 2025-08-31T10:10:25,333 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl/struc.xyz' 2025-08-31T10:10:25,335 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi/struc.xyz' 2025-08-31T10:10:25,336 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1/struc.xyz' 2025-08-31T10:10:25,338 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a/struc.xyz' 2025-08-31T10:10:25,340 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b/struc.xyz' 2025-08-31T10:10:25,342 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a/struc.xyz' 2025-08-31T10:10:25,343 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b/struc.xyz' 2025-08-31T10:10:25,345 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a/struc.xyz' 2025-08-31T10:10:25,346 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b/struc.xyz' 2025-08-31T10:10:25,348 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a/struc.xyz' 2025-08-31T10:10:25,350 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b/struc.xyz' 2025-08-31T10:10:25,351 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c/struc.xyz' 2025-08-31T10:10:25,353 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d/struc.xyz' 2025-08-31T10:10:25,354 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a/struc.xyz' 2025-08-31T10:10:25,356 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b/struc.xyz' 2025-08-31T10:10:25,357 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a/struc.xyz' 2025-08-31T10:10:25,359 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b/struc.xyz' 2025-08-31T10:10:25,361 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c/struc.xyz' 2025-08-31T10:10:25,362 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a/struc.xyz' 2025-08-31T10:10:25,364 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b/struc.xyz' 2025-08-31T10:10:25,366 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c/struc.xyz' 2025-08-31T10:10:25,367 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d/struc.xyz' 2025-08-31T10:10:25,369 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a/struc.xyz' 2025-08-31T10:10:25,371 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b/struc.xyz' 2025-08-31T10:10:25,372 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a/struc.xyz' 2025-08-31T10:10:25,374 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b/struc.xyz' 2025-08-31T10:10:25,376 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a/struc.xyz' 2025-08-31T10:10:25,377 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b/struc.xyz' 2025-08-31T10:10:25,380 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a/struc.xyz' 2025-08-31T10:10:25,382 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b/struc.xyz' 2025-08-31T10:10:25,384 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a/struc.xyz' 2025-08-31T10:10:25,385 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b/struc.xyz' 2025-08-31T10:10:25,387 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c/struc.xyz' 2025-08-31T10:10:25,389 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e/struc.xyz' 2025-08-31T10:10:25,391 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f/struc.xyz' 2025-08-31T10:10:25,393 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g/struc.xyz' 2025-08-31T10:10:25,395 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m/struc.xyz' 2025-08-31T10:10:25,398 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p/struc.xyz' 2025-08-31T10:10:25,402 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a/struc.xyz' 2025-08-31T10:10:25,404 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h/struc.xyz' 2025-08-31T10:10:25,406 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p/struc.xyz' 2025-08-31T10:10:25,408 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a/struc.xyz' 2025-08-31T10:10:25,410 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b/struc.xyz' 2025-08-31T10:10:25,412 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d/struc.xyz' 2025-08-31T10:10:25,414 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b/struc.xyz' 2025-08-31T10:10:25,416 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z/struc.xyz' 2025-08-31T10:10:25,418 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p/struc.xyz' 2025-08-31T10:10:25,420 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a/struc.xyz' 2025-08-31T10:10:25,422 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p/struc.xyz' 2025-08-31T10:10:25,424 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d/struc.xyz' 2025-08-31T10:10:25,425 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a/struc.xyz' 2025-08-31T10:10:25,427 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa/struc.xyz' 2025-08-31T10:10:25,431 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde/struc.xyz' 2025-08-31T10:10:25,433 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic/struc.xyz' 2025-08-31T10:10:25,435 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al/struc.xyz' 2025-08-31T10:10:25,436 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl/struc.xyz' 2025-08-31T10:10:25,438 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3/struc.xyz' 2025-08-31T10:10:25,439 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf/struc.xyz' 2025-08-31T10:10:25,441 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3/struc.xyz' 2025-08-31T10:10:25,443 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh/struc.xyz' 2025-08-31T10:10:25,444 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3/struc.xyz' 2025-08-31T10:10:25,446 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene/struc.xyz' 2025-08-31T10:10:25,447 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b/struc.xyz' 2025-08-31T10:10:25,449 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2/struc.xyz' 2025-08-31T10:10:25,451 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6/struc.xyz' 2025-08-31T10:10:25,453 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be/struc.xyz' 2025-08-31T10:10:25,454 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2/struc.xyz' 2025-08-31T10:10:25,456 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2/struc.xyz' 2025-08-31T10:10:25,458 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2/struc.xyz' 2025-08-31T10:10:25,460 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf/struc.xyz' 2025-08-31T10:10:25,462 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3/struc.xyz' 2025-08-31T10:10:25,464 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh/struc.xyz' 2025-08-31T10:10:25,465 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3/struc.xyz' 2025-08-31T10:10:25,467 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2/struc.xyz' 2025-08-31T10:10:25,469 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn/struc.xyz' 2025-08-31T10:10:25,471 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi/struc.xyz' 2025-08-31T10:10:25,472 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c/struc.xyz' 2025-08-31T10:10:25,474 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh/struc.xyz' 2025-08-31T10:10:25,476 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono/struc.xyz' 2025-08-31T10:10:25,477 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo/struc.xyz' 2025-08-31T10:10:25,479 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2/struc.xyz' 2025-08-31T10:10:25,481 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2/struc.xyz' 2025-08-31T10:10:25,483 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2/struc.xyz' 2025-08-31T10:10:25,484 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f/struc.xyz' 2025-08-31T10:10:25,487 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4/struc.xyz' 2025-08-31T10:10:25,488 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f/struc.xyz' 2025-08-31T10:10:25,490 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6/struc.xyz' 2025-08-31T10:10:25,492 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch/struc.xyz' 2025-08-31T10:10:25,494 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2/struc.xyz' 2025-08-31T10:10:25,496 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf/struc.xyz' 2025-08-31T10:10:25,498 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2/struc.xyz' 2025-08-31T10:10:25,500 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4/struc.xyz' 2025-08-31T10:10:25,501 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch/struc.xyz' 2025-08-31T10:10:25,504 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing/struc.xyz' 2025-08-31T10:10:25,506 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip/struc.xyz' 2025-08-31T10:10:25,507 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c/struc.xyz' 2025-08-31T10:10:25,509 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch/struc.xyz' 2025-08-31T10:10:25,511 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2/struc.xyz' 2025-08-31T10:10:25,513 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh/struc.xyz' 2025-08-31T10:10:25,514 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2/struc.xyz' 2025-08-31T10:10:25,516 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3/struc.xyz' 2025-08-31T10:10:25,517 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f/struc.xyz' 2025-08-31T10:10:25,519 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh/struc.xyz' 2025-08-31T10:10:25,520 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2/struc.xyz' 2025-08-31T10:10:25,522 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4/struc.xyz' 2025-08-31T10:10:25,524 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl/struc.xyz' 2025-08-31T10:10:25,525 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2/struc.xyz' 2025-08-31T10:10:25,527 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o/struc.xyz' 2025-08-31T10:10:25,528 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn/struc.xyz' 2025-08-31T10:10:25,530 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf/struc.xyz' 2025-08-31T10:10:25,531 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo/struc.xyz' 2025-08-31T10:10:25,533 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo/struc.xyz' 2025-08-31T10:10:25,534 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn/struc.xyz' 2025-08-31T10:10:25,536 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co/struc.xyz' 2025-08-31T10:10:25,537 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2/struc.xyz' 2025-08-31T10:10:25,539 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs/struc.xyz' 2025-08-31T10:10:25,541 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2/struc.xyz' 2025-08-31T10:10:25,542 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane/struc.xyz' 2025-08-31T10:10:25,544 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol/struc.xyz' 2025-08-31T10:10:25,546 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f/struc.xyz' 2025-08-31T10:10:25,547 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2/struc.xyz' 2025-08-31T10:10:25,549 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co/struc.xyz' 2025-08-31T10:10:25,551 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o/struc.xyz' 2025-08-31T10:10:25,552 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf/struc.xyz' 2025-08-31T10:10:25,554 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2/struc.xyz' 2025-08-31T10:10:25,556 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof/struc.xyz' 2025-08-31T10:10:25,557 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic/struc.xyz' 2025-08-31T10:10:25,559 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal/struc.xyz' 2025-08-31T10:10:25,561 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h/struc.xyz' 2025-08-31T10:10:25,562 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2/struc.xyz' 2025-08-31T10:10:25,564 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn/struc.xyz' 2025-08-31T10:10:25,566 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co/struc.xyz' 2025-08-31T10:10:25,568 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o/struc.xyz' 2025-08-31T10:10:25,569 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s/struc.xyz' 2025-08-31T10:10:25,571 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf/struc.xyz' 2025-08-31T10:10:25,573 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl/struc.xyz' 2025-08-31T10:10:25,574 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn/struc.xyz' 2025-08-31T10:10:25,576 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh/struc.xyz' 2025-08-31T10:10:25,578 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno/struc.xyz' 2025-08-31T10:10:25,580 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco/struc.xyz' 2025-08-31T10:10:25,584 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof/struc.xyz' 2025-08-31T10:10:25,585 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf/struc.xyz' 2025-08-31T10:10:25,587 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc/struc.xyz' 2025-08-31T10:10:25,588 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco/struc.xyz' 2025-08-31T10:10:25,590 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn/struc.xyz' 2025-08-31T10:10:25,591 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno/struc.xyz' 2025-08-31T10:10:25,593 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl/struc.xyz' 2025-08-31T10:10:25,594 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn/struc.xyz' 2025-08-31T10:10:25,596 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof/struc.xyz' 2025-08-31T10:10:25,597 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc/struc.xyz' 2025-08-31T10:10:25,599 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo/struc.xyz' 2025-08-31T10:10:25,601 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh/struc.xyz' 2025-08-31T10:10:25,602 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs/struc.xyz' 2025-08-31T10:10:25,604 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene/struc.xyz' 2025-08-31T10:10:25,606 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol/struc.xyz' 2025-08-31T10:10:25,607 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n/struc.xyz' 2025-08-31T10:10:25,609 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2/struc.xyz' 2025-08-31T10:10:25,610 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h/struc.xyz' 2025-08-31T10:10:25,612 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4/struc.xyz' 2025-08-31T10:10:25,614 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o/struc.xyz' 2025-08-31T10:10:25,615 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn/struc.xyz' 2025-08-31T10:10:25,617 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh/struc.xyz' 2025-08-31T10:10:25,618 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2/struc.xyz' 2025-08-31T10:10:25,620 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl/struc.xyz' 2025-08-31T10:10:25,621 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3/struc.xyz' 2025-08-31T10:10:25,623 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no/struc.xyz' 2025-08-31T10:10:25,625 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2/struc.xyz' 2025-08-31T10:10:25,626 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o/struc.xyz' 2025-08-31T10:10:25,628 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2/struc.xyz' 2025-08-31T10:10:25,630 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3/struc.xyz' 2025-08-31T10:10:25,632 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo/struc.xyz' 2025-08-31T10:10:25,634 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs/struc.xyz' 2025-08-31T10:10:25,635 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of/struc.xyz' 2025-08-31T10:10:25,637 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh/struc.xyz' 2025-08-31T10:10:25,639 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane/struc.xyz' 2025-08-31T10:10:25,641 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene/struc.xyz' 2025-08-31T10:10:25,642 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p/struc.xyz' 2025-08-31T10:10:25,644 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2/struc.xyz' 2025-08-31T10:10:25,646 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4/struc.xyz' 2025-08-31T10:10:25,647 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3/struc.xyz' 2025-08-31T10:10:25,649 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane/struc.xyz' 2025-08-31T10:10:25,651 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene/struc.xyz' 2025-08-31T10:10:25,652 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne/struc.xyz' 2025-08-31T10:10:25,654 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s/struc.xyz' 2025-08-31T10:10:25,656 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2/struc.xyz' 2025-08-31T10:10:25,657 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o/struc.xyz' 2025-08-31T10:10:25,659 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3/struc.xyz' 2025-08-31T10:10:25,661 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v/struc.xyz' 2025-08-31T10:10:25,662 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si/struc.xyz' 2025-08-31T10:10:25,664 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6/struc.xyz' 2025-08-31T10:10:25,666 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif/struc.xyz' 2025-08-31T10:10:25,667 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4/struc.xyz' 2025-08-31T10:10:25,669 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih/struc.xyz' 2025-08-31T10:10:25,670 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f/struc.xyz' 2025-08-31T10:10:25,672 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4/struc.xyz' 2025-08-31T10:10:25,674 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio/struc.xyz' 2025-08-31T10:10:25,675 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so/struc.xyz' 2025-08-31T10:10:25,677 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2/struc.xyz' 2025-08-31T10:10:25,678 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3/struc.xyz' 2025-08-31T10:10:25,680 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh/struc.xyz' 2025-08-31T10:10:25,681 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh/struc.xyz' 2025-08-31T10:10:25,683 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono/struc.xyz' 2025-08-31T10:10:25,684 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo/struc.xyz' 2025-08-31T10:10:25,686 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2/struc.xyz' 2025-08-31T10:10:25,689 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O/struc.xyz' 2025-08-31T10:10:25,690 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2/struc.xyz' 2025-08-31T10:10:25,692 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20/struc.xyz' 2025-08-31T10:10:25,694 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es/struc.xyz' 2025-08-31T10:10:25,696 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc/struc.xyz' 2025-08-31T10:10:25,698 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs/struc.xyz' 2025-08-31T10:10:25,699 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3/struc.xyz' 2025-08-31T10:10:25,701 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4/struc.xyz' 2025-08-31T10:10:25,703 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5/struc.xyz' 2025-08-31T10:10:25,705 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6/struc.xyz' 2025-08-31T10:10:25,706 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b/struc.xyz' 2025-08-31T10:10:25,708 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c/struc.xyz' 2025-08-31T10:10:25,710 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2/struc.xyz' 2025-08-31T10:10:25,711 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d/struc.xyz' 2025-08-31T10:10:25,713 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4/struc.xyz' 2025-08-31T10:10:25,715 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op/struc.xyz' 2025-08-31T10:10:25,717 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O/struc.xyz' 2025-08-31T10:10:25,718 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2/struc.xyz' 2025-08-31T10:10:25,720 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3/struc.xyz' 2025-08-31T10:10:25,722 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz' 2025-08-31T10:10:25,723 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz' 2025-08-31T10:10:25,725 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz' 2025-08-31T10:10:25,727 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm/struc.xyz' 2025-08-31T10:10:25,728 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O/struc.xyz' 2025-08-31T10:10:25,730 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2/struc.xyz' 2025-08-31T10:10:25,732 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3/struc.xyz' 2025-08-31T10:10:25,734 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz' 2025-08-31T10:10:25,735 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz' 2025-08-31T10:10:25,737 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5/struc.xyz' 2025-08-31T10:10:25,739 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6/struc.xyz' 2025-08-31T10:10:25,741 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o/struc.xyz' 2025-08-31T10:10:25,742 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1/struc.xyz' 2025-08-31T10:10:25,744 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2/struc.xyz' 2025-08-31T10:10:25,746 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3/struc.xyz' 2025-08-31T10:10:25,747 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4/struc.xyz' 2025-08-31T10:10:25,749 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5/struc.xyz' 2025-08-31T10:10:25,750 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6/struc.xyz' 2025-08-31T10:10:25,752 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7/struc.xyz' 2025-08-31T10:10:25,753 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8/struc.xyz' 2025-08-31T10:10:25,755 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9/struc.xyz' 2025-08-31T10:10:25,756 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1/struc.xyz' 2025-08-31T10:10:25,758 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o/struc.xyz' 2025-08-31T10:10:25,759 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2/struc.xyz' 2025-08-31T10:10:25,761 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o/struc.xyz' 2025-08-31T10:10:25,763 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3/struc.xyz' 2025-08-31T10:10:25,764 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o/struc.xyz' 2025-08-31T10:10:25,766 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4/struc.xyz' 2025-08-31T10:10:25,768 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o/struc.xyz' 2025-08-31T10:10:25,769 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5/struc.xyz' 2025-08-31T10:10:25,771 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o/struc.xyz' 2025-08-31T10:10:25,772 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6/struc.xyz' 2025-08-31T10:10:25,774 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o/struc.xyz' 2025-08-31T10:10:25,776 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7/struc.xyz' 2025-08-31T10:10:25,777 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o/struc.xyz' 2025-08-31T10:10:25,779 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8/struc.xyz' 2025-08-31T10:10:25,781 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o/struc.xyz' 2025-08-31T10:10:25,782 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9/struc.xyz' 2025-08-31T10:10:25,784 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o/struc.xyz' 2025-08-31T10:10:25,787 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22/struc.xyz' 2025-08-31T10:10:25,788 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2/struc.xyz' 2025-08-31T10:10:25,790 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s/struc.xyz' 2025-08-31T10:10:25,792 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz' 2025-08-31T10:10:25,794 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2/struc.xyz' 2025-08-31T10:10:25,796 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s/struc.xyz' 2025-08-31T10:10:25,798 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz' 2025-08-31T10:10:25,799 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2/struc.xyz' 2025-08-31T10:10:25,801 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s/struc.xyz' 2025-08-31T10:10:25,803 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz' 2025-08-31T10:10:25,805 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2/struc.xyz' 2025-08-31T10:10:25,807 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3/struc.xyz' 2025-08-31T10:10:25,809 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz' 2025-08-31T10:10:25,811 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2/struc.xyz' 2025-08-31T10:10:25,813 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3/struc.xyz' 2025-08-31T10:10:25,815 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz' 2025-08-31T10:10:25,816 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2/struc.xyz' 2025-08-31T10:10:25,818 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3/struc.xyz' 2025-08-31T10:10:25,820 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz' 2025-08-31T10:10:25,822 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2/struc.xyz' 2025-08-31T10:10:25,823 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3/struc.xyz' 2025-08-31T10:10:25,825 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz' 2025-08-31T10:10:25,827 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2/struc.xyz' 2025-08-31T10:10:25,829 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3/struc.xyz' 2025-08-31T10:10:25,830 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz' 2025-08-31T10:10:25,832 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2/struc.xyz' 2025-08-31T10:10:25,834 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3/struc.xyz' 2025-08-31T10:10:25,836 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz' 2025-08-31T10:10:25,838 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2/struc.xyz' 2025-08-31T10:10:25,839 adding 'xcbm/Input_Scripts/calc_GMTKN55.py' 2025-08-31T10:10:25,840 adding 'xcbm/Input_Scripts/calc_MGCDB84.py' 2025-08-31T10:10:25,890 adding 'xcbm/MGCDB84_Dataset/DatasetEval.csv' 2025-08-31T10:10:25,897 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz' 2025-08-31T10:10:25,898 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz' 2025-08-31T10:10:25,899 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz' 2025-08-31T10:10:25,900 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz' 2025-08-31T10:10:25,902 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz' 2025-08-31T10:10:25,903 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz' 2025-08-31T10:10:25,904 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz' 2025-08-31T10:10:25,905 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz' 2025-08-31T10:10:25,914 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAB_3B-69.xyz' 2025-08-31T10:10:25,916 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAC_3B-69.xyz' 2025-08-31T10:10:25,917 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimBC_3B-69.xyz' 2025-08-31T10:10:25,918 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monA_3B-69.xyz' 2025-08-31T10:10:25,919 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monB_3B-69.xyz' 2025-08-31T10:10:25,920 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monC_3B-69.xyz' 2025-08-31T10:10:25,922 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAB_3B-69.xyz' 2025-08-31T10:10:25,923 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAC_3B-69.xyz' 2025-08-31T10:10:25,924 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimBC_3B-69.xyz' 2025-08-31T10:10:25,925 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monA_3B-69.xyz' 2025-08-31T10:10:25,926 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monB_3B-69.xyz' 2025-08-31T10:10:25,927 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monC_3B-69.xyz' 2025-08-31T10:10:25,928 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAB_3B-69.xyz' 2025-08-31T10:10:25,929 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAC_3B-69.xyz' 2025-08-31T10:10:25,931 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimBC_3B-69.xyz' 2025-08-31T10:10:25,932 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monA_3B-69.xyz' 2025-08-31T10:10:25,933 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monB_3B-69.xyz' 2025-08-31T10:10:25,934 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monC_3B-69.xyz' 2025-08-31T10:10:25,935 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAB_3B-69.xyz' 2025-08-31T10:10:25,936 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAC_3B-69.xyz' 2025-08-31T10:10:25,937 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimBC_3B-69.xyz' 2025-08-31T10:10:25,938 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monA_3B-69.xyz' 2025-08-31T10:10:25,939 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monB_3B-69.xyz' 2025-08-31T10:10:25,940 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monC_3B-69.xyz' 2025-08-31T10:10:25,941 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAB_3B-69.xyz' 2025-08-31T10:10:25,942 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAC_3B-69.xyz' 2025-08-31T10:10:25,944 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimBC_3B-69.xyz' 2025-08-31T10:10:25,945 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monA_3B-69.xyz' 2025-08-31T10:10:25,946 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monB_3B-69.xyz' 2025-08-31T10:10:25,947 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monC_3B-69.xyz' 2025-08-31T10:10:25,948 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAB_3B-69.xyz' 2025-08-31T10:10:25,949 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAC_3B-69.xyz' 2025-08-31T10:10:25,950 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimBC_3B-69.xyz' 2025-08-31T10:10:25,951 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monA_3B-69.xyz' 2025-08-31T10:10:25,952 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monB_3B-69.xyz' 2025-08-31T10:10:25,954 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monC_3B-69.xyz' 2025-08-31T10:10:25,955 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAB_3B-69.xyz' 2025-08-31T10:10:25,956 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAC_3B-69.xyz' 2025-08-31T10:10:25,957 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimBC_3B-69.xyz' 2025-08-31T10:10:25,958 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monA_3B-69.xyz' 2025-08-31T10:10:25,959 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monB_3B-69.xyz' 2025-08-31T10:10:25,960 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monC_3B-69.xyz' 2025-08-31T10:10:25,961 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAB_3B-69.xyz' 2025-08-31T10:10:25,963 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAC_3B-69.xyz' 2025-08-31T10:10:25,964 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimBC_3B-69.xyz' 2025-08-31T10:10:25,965 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monA_3B-69.xyz' 2025-08-31T10:10:25,966 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monB_3B-69.xyz' 2025-08-31T10:10:25,967 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monC_3B-69.xyz' 2025-08-31T10:10:25,968 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAB_3B-69.xyz' 2025-08-31T10:10:25,970 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAC_3B-69.xyz' 2025-08-31T10:10:25,971 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimBC_3B-69.xyz' 2025-08-31T10:10:25,972 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monA_3B-69.xyz' 2025-08-31T10:10:25,973 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monB_3B-69.xyz' 2025-08-31T10:10:25,974 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monC_3B-69.xyz' 2025-08-31T10:10:25,975 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAB_3B-69.xyz' 2025-08-31T10:10:25,977 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAC_3B-69.xyz' 2025-08-31T10:10:25,978 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimBC_3B-69.xyz' 2025-08-31T10:10:25,979 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monA_3B-69.xyz' 2025-08-31T10:10:25,980 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monB_3B-69.xyz' 2025-08-31T10:10:25,981 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monC_3B-69.xyz' 2025-08-31T10:10:25,982 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAB_3B-69.xyz' 2025-08-31T10:10:25,983 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAC_3B-69.xyz' 2025-08-31T10:10:25,984 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimBC_3B-69.xyz' 2025-08-31T10:10:25,985 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monA_3B-69.xyz' 2025-08-31T10:10:25,986 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monB_3B-69.xyz' 2025-08-31T10:10:25,987 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monC_3B-69.xyz' 2025-08-31T10:10:25,988 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAB_3B-69.xyz' 2025-08-31T10:10:25,990 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAC_3B-69.xyz' 2025-08-31T10:10:25,991 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimBC_3B-69.xyz' 2025-08-31T10:10:25,992 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monA_3B-69.xyz' 2025-08-31T10:10:25,993 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monB_3B-69.xyz' 2025-08-31T10:10:25,994 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monC_3B-69.xyz' 2025-08-31T10:10:25,995 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAB_3B-69.xyz' 2025-08-31T10:10:25,996 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAC_3B-69.xyz' 2025-08-31T10:10:25,997 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimBC_3B-69.xyz' 2025-08-31T10:10:25,999 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monA_3B-69.xyz' 2025-08-31T10:10:26,000 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monB_3B-69.xyz' 2025-08-31T10:10:26,001 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monC_3B-69.xyz' 2025-08-31T10:10:26,002 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAB_3B-69.xyz' 2025-08-31T10:10:26,003 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAC_3B-69.xyz' 2025-08-31T10:10:26,004 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimBC_3B-69.xyz' 2025-08-31T10:10:26,006 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monA_3B-69.xyz' 2025-08-31T10:10:26,007 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monB_3B-69.xyz' 2025-08-31T10:10:26,008 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monC_3B-69.xyz' 2025-08-31T10:10:26,009 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAB_3B-69.xyz' 2025-08-31T10:10:26,010 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAC_3B-69.xyz' 2025-08-31T10:10:26,011 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimBC_3B-69.xyz' 2025-08-31T10:10:26,013 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monA_3B-69.xyz' 2025-08-31T10:10:26,014 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monB_3B-69.xyz' 2025-08-31T10:10:26,015 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monC_3B-69.xyz' 2025-08-31T10:10:26,016 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAB_3B-69.xyz' 2025-08-31T10:10:26,017 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAC_3B-69.xyz' 2025-08-31T10:10:26,018 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimBC_3B-69.xyz' 2025-08-31T10:10:26,019 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,021 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,022 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,023 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAB_3B-69.xyz' 2025-08-31T10:10:26,024 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAC_3B-69.xyz' 2025-08-31T10:10:26,025 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimBC_3B-69.xyz' 2025-08-31T10:10:26,026 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,027 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,028 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,029 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAB_3B-69.xyz' 2025-08-31T10:10:26,031 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAC_3B-69.xyz' 2025-08-31T10:10:26,032 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimBC_3B-69.xyz' 2025-08-31T10:10:26,033 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,034 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,035 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,036 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAB_3B-69.xyz' 2025-08-31T10:10:26,037 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAC_3B-69.xyz' 2025-08-31T10:10:26,038 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimBC_3B-69.xyz' 2025-08-31T10:10:26,039 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,041 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,042 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,043 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAB_3B-69.xyz' 2025-08-31T10:10:26,044 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAC_3B-69.xyz' 2025-08-31T10:10:26,045 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimBC_3B-69.xyz' 2025-08-31T10:10:26,046 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,048 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,049 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,050 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAB_3B-69.xyz' 2025-08-31T10:10:26,051 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAC_3B-69.xyz' 2025-08-31T10:10:26,052 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimBC_3B-69.xyz' 2025-08-31T10:10:26,053 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,055 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,056 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,057 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAB_3B-69.xyz' 2025-08-31T10:10:26,058 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAC_3B-69.xyz' 2025-08-31T10:10:26,059 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimBC_3B-69.xyz' 2025-08-31T10:10:26,060 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monA_3B-69.xyz' 2025-08-31T10:10:26,061 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monB_3B-69.xyz' 2025-08-31T10:10:26,063 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monC_3B-69.xyz' 2025-08-31T10:10:26,064 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAB_3B-69.xyz' 2025-08-31T10:10:26,065 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAC_3B-69.xyz' 2025-08-31T10:10:26,066 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimBC_3B-69.xyz' 2025-08-31T10:10:26,067 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monA_3B-69.xyz' 2025-08-31T10:10:26,068 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monB_3B-69.xyz' 2025-08-31T10:10:26,069 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monC_3B-69.xyz' 2025-08-31T10:10:26,070 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAB_3B-69.xyz' 2025-08-31T10:10:26,072 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAC_3B-69.xyz' 2025-08-31T10:10:26,073 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimBC_3B-69.xyz' 2025-08-31T10:10:26,074 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monA_3B-69.xyz' 2025-08-31T10:10:26,075 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monB_3B-69.xyz' 2025-08-31T10:10:26,076 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monC_3B-69.xyz' 2025-08-31T10:10:26,077 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAB_3B-69.xyz' 2025-08-31T10:10:26,079 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAC_3B-69.xyz' 2025-08-31T10:10:26,080 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimBC_3B-69.xyz' 2025-08-31T10:10:26,081 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monA_3B-69.xyz' 2025-08-31T10:10:26,082 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monB_3B-69.xyz' 2025-08-31T10:10:26,083 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monC_3B-69.xyz' 2025-08-31T10:10:26,084 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAB_3B-69.xyz' 2025-08-31T10:10:26,086 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAC_3B-69.xyz' 2025-08-31T10:10:26,087 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimBC_3B-69.xyz' 2025-08-31T10:10:26,088 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monA_3B-69.xyz' 2025-08-31T10:10:26,089 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monB_3B-69.xyz' 2025-08-31T10:10:26,090 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monC_3B-69.xyz' 2025-08-31T10:10:26,092 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAB_3B-69.xyz' 2025-08-31T10:10:26,093 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAC_3B-69.xyz' 2025-08-31T10:10:26,094 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimBC_3B-69.xyz' 2025-08-31T10:10:26,095 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monA_3B-69.xyz' 2025-08-31T10:10:26,096 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monB_3B-69.xyz' 2025-08-31T10:10:26,097 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monC_3B-69.xyz' 2025-08-31T10:10:26,099 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAB_3B-69.xyz' 2025-08-31T10:10:26,100 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAC_3B-69.xyz' 2025-08-31T10:10:26,101 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimBC_3B-69.xyz' 2025-08-31T10:10:26,102 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monA_3B-69.xyz' 2025-08-31T10:10:26,103 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monB_3B-69.xyz' 2025-08-31T10:10:26,105 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monC_3B-69.xyz' 2025-08-31T10:10:26,106 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAB_3B-69.xyz' 2025-08-31T10:10:26,107 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAC_3B-69.xyz' 2025-08-31T10:10:26,108 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimBC_3B-69.xyz' 2025-08-31T10:10:26,109 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monA_3B-69.xyz' 2025-08-31T10:10:26,110 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monB_3B-69.xyz' 2025-08-31T10:10:26,111 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monC_3B-69.xyz' 2025-08-31T10:10:26,112 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAB_3B-69.xyz' 2025-08-31T10:10:26,113 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAC_3B-69.xyz' 2025-08-31T10:10:26,115 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimBC_3B-69.xyz' 2025-08-31T10:10:26,116 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monA_3B-69.xyz' 2025-08-31T10:10:26,117 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monB_3B-69.xyz' 2025-08-31T10:10:26,118 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monC_3B-69.xyz' 2025-08-31T10:10:26,119 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAB_3B-69.xyz' 2025-08-31T10:10:26,120 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAC_3B-69.xyz' 2025-08-31T10:10:26,121 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimBC_3B-69.xyz' 2025-08-31T10:10:26,123 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monA_3B-69.xyz' 2025-08-31T10:10:26,124 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monB_3B-69.xyz' 2025-08-31T10:10:26,125 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monC_3B-69.xyz' 2025-08-31T10:10:26,126 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAB_3B-69.xyz' 2025-08-31T10:10:26,127 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAC_3B-69.xyz' 2025-08-31T10:10:26,128 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimBC_3B-69.xyz' 2025-08-31T10:10:26,130 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monA_3B-69.xyz' 2025-08-31T10:10:26,131 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monB_3B-69.xyz' 2025-08-31T10:10:26,132 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monC_3B-69.xyz' 2025-08-31T10:10:26,133 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAB_3B-69.xyz' 2025-08-31T10:10:26,134 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAC_3B-69.xyz' 2025-08-31T10:10:26,136 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimBC_3B-69.xyz' 2025-08-31T10:10:26,137 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monA_3B-69.xyz' 2025-08-31T10:10:26,138 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monB_3B-69.xyz' 2025-08-31T10:10:26,139 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monC_3B-69.xyz' 2025-08-31T10:10:26,140 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAB_3B-69.xyz' 2025-08-31T10:10:26,142 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAC_3B-69.xyz' 2025-08-31T10:10:26,143 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimBC_3B-69.xyz' 2025-08-31T10:10:26,144 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monA_3B-69.xyz' 2025-08-31T10:10:26,145 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monB_3B-69.xyz' 2025-08-31T10:10:26,146 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monC_3B-69.xyz' 2025-08-31T10:10:26,147 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAB_3B-69.xyz' 2025-08-31T10:10:26,149 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAC_3B-69.xyz' 2025-08-31T10:10:26,150 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimBC_3B-69.xyz' 2025-08-31T10:10:26,151 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monA_3B-69.xyz' 2025-08-31T10:10:26,152 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monB_3B-69.xyz' 2025-08-31T10:10:26,153 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monC_3B-69.xyz' 2025-08-31T10:10:26,154 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAB_3B-69.xyz' 2025-08-31T10:10:26,155 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAC_3B-69.xyz' 2025-08-31T10:10:26,156 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimBC_3B-69.xyz' 2025-08-31T10:10:26,157 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monA_3B-69.xyz' 2025-08-31T10:10:26,158 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monB_3B-69.xyz' 2025-08-31T10:10:26,160 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monC_3B-69.xyz' 2025-08-31T10:10:26,161 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAB_3B-69.xyz' 2025-08-31T10:10:26,162 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAC_3B-69.xyz' 2025-08-31T10:10:26,163 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimBC_3B-69.xyz' 2025-08-31T10:10:26,164 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monA_3B-69.xyz' 2025-08-31T10:10:26,166 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monB_3B-69.xyz' 2025-08-31T10:10:26,167 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monC_3B-69.xyz' 2025-08-31T10:10:26,168 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAB_3B-69.xyz' 2025-08-31T10:10:26,169 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAC_3B-69.xyz' 2025-08-31T10:10:26,170 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimBC_3B-69.xyz' 2025-08-31T10:10:26,171 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monA_3B-69.xyz' 2025-08-31T10:10:26,172 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monB_3B-69.xyz' 2025-08-31T10:10:26,173 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monC_3B-69.xyz' 2025-08-31T10:10:26,175 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAB_3B-69.xyz' 2025-08-31T10:10:26,176 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAC_3B-69.xyz' 2025-08-31T10:10:26,177 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimBC_3B-69.xyz' 2025-08-31T10:10:26,178 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monA_3B-69.xyz' 2025-08-31T10:10:26,179 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monB_3B-69.xyz' 2025-08-31T10:10:26,181 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monC_3B-69.xyz' 2025-08-31T10:10:26,182 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAB_3B-69.xyz' 2025-08-31T10:10:26,183 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAC_3B-69.xyz' 2025-08-31T10:10:26,184 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimBC_3B-69.xyz' 2025-08-31T10:10:26,186 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monA_3B-69.xyz' 2025-08-31T10:10:26,187 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monB_3B-69.xyz' 2025-08-31T10:10:26,188 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monC_3B-69.xyz' 2025-08-31T10:10:26,189 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAB_3B-69.xyz' 2025-08-31T10:10:26,190 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAC_3B-69.xyz' 2025-08-31T10:10:26,192 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimBC_3B-69.xyz' 2025-08-31T10:10:26,193 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monA_3B-69.xyz' 2025-08-31T10:10:26,194 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monB_3B-69.xyz' 2025-08-31T10:10:26,195 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monC_3B-69.xyz' 2025-08-31T10:10:26,196 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAB_3B-69.xyz' 2025-08-31T10:10:26,197 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAC_3B-69.xyz' 2025-08-31T10:10:26,198 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimBC_3B-69.xyz' 2025-08-31T10:10:26,199 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monA_3B-69.xyz' 2025-08-31T10:10:26,201 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monB_3B-69.xyz' 2025-08-31T10:10:26,202 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monC_3B-69.xyz' 2025-08-31T10:10:26,203 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAB_3B-69.xyz' 2025-08-31T10:10:26,204 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAC_3B-69.xyz' 2025-08-31T10:10:26,205 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimBC_3B-69.xyz' 2025-08-31T10:10:26,206 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monA_3B-69.xyz' 2025-08-31T10:10:26,208 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monB_3B-69.xyz' 2025-08-31T10:10:26,209 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monC_3B-69.xyz' 2025-08-31T10:10:26,210 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAB_3B-69.xyz' 2025-08-31T10:10:26,211 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAC_3B-69.xyz' 2025-08-31T10:10:26,213 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimBC_3B-69.xyz' 2025-08-31T10:10:26,214 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monA_3B-69.xyz' 2025-08-31T10:10:26,215 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monB_3B-69.xyz' 2025-08-31T10:10:26,216 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monC_3B-69.xyz' 2025-08-31T10:10:26,218 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAB_3B-69.xyz' 2025-08-31T10:10:26,219 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAC_3B-69.xyz' 2025-08-31T10:10:26,220 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimBC_3B-69.xyz' 2025-08-31T10:10:26,221 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monA_3B-69.xyz' 2025-08-31T10:10:26,222 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monB_3B-69.xyz' 2025-08-31T10:10:26,224 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monC_3B-69.xyz' 2025-08-31T10:10:26,225 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAB_3B-69.xyz' 2025-08-31T10:10:26,226 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAC_3B-69.xyz' 2025-08-31T10:10:26,227 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimBC_3B-69.xyz' 2025-08-31T10:10:26,228 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monA_3B-69.xyz' 2025-08-31T10:10:26,230 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monB_3B-69.xyz' 2025-08-31T10:10:26,231 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monC_3B-69.xyz' 2025-08-31T10:10:26,232 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAB_3B-69.xyz' 2025-08-31T10:10:26,233 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAC_3B-69.xyz' 2025-08-31T10:10:26,235 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimBC_3B-69.xyz' 2025-08-31T10:10:26,236 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monA_3B-69.xyz' 2025-08-31T10:10:26,237 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monB_3B-69.xyz' 2025-08-31T10:10:26,238 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monC_3B-69.xyz' 2025-08-31T10:10:26,239 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAB_3B-69.xyz' 2025-08-31T10:10:26,240 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAC_3B-69.xyz' 2025-08-31T10:10:26,241 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimBC_3B-69.xyz' 2025-08-31T10:10:26,242 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monA_3B-69.xyz' 2025-08-31T10:10:26,243 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monB_3B-69.xyz' 2025-08-31T10:10:26,245 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monC_3B-69.xyz' 2025-08-31T10:10:26,246 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAB_3B-69.xyz' 2025-08-31T10:10:26,247 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAC_3B-69.xyz' 2025-08-31T10:10:26,248 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimBC_3B-69.xyz' 2025-08-31T10:10:26,250 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monA_3B-69.xyz' 2025-08-31T10:10:26,251 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monB_3B-69.xyz' 2025-08-31T10:10:26,252 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monC_3B-69.xyz' 2025-08-31T10:10:26,253 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAB_3B-69.xyz' 2025-08-31T10:10:26,255 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAC_3B-69.xyz' 2025-08-31T10:10:26,256 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimBC_3B-69.xyz' 2025-08-31T10:10:26,257 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monA_3B-69.xyz' 2025-08-31T10:10:26,258 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monB_3B-69.xyz' 2025-08-31T10:10:26,260 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monC_3B-69.xyz' 2025-08-31T10:10:26,261 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAB_3B-69.xyz' 2025-08-31T10:10:26,262 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAC_3B-69.xyz' 2025-08-31T10:10:26,263 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimBC_3B-69.xyz' 2025-08-31T10:10:26,264 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monA_3B-69.xyz' 2025-08-31T10:10:26,266 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monB_3B-69.xyz' 2025-08-31T10:10:26,267 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monC_3B-69.xyz' 2025-08-31T10:10:26,268 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAB_3B-69.xyz' 2025-08-31T10:10:26,269 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAC_3B-69.xyz' 2025-08-31T10:10:26,271 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimBC_3B-69.xyz' 2025-08-31T10:10:26,272 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monA_3B-69.xyz' 2025-08-31T10:10:26,273 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monB_3B-69.xyz' 2025-08-31T10:10:26,274 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monC_3B-69.xyz' 2025-08-31T10:10:26,275 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAB_3B-69.xyz' 2025-08-31T10:10:26,277 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAC_3B-69.xyz' 2025-08-31T10:10:26,278 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimBC_3B-69.xyz' 2025-08-31T10:10:26,279 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monA_3B-69.xyz' 2025-08-31T10:10:26,280 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monB_3B-69.xyz' 2025-08-31T10:10:26,281 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monC_3B-69.xyz' 2025-08-31T10:10:26,283 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAB_3B-69.xyz' 2025-08-31T10:10:26,284 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAC_3B-69.xyz' 2025-08-31T10:10:26,285 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimBC_3B-69.xyz' 2025-08-31T10:10:26,286 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monA_3B-69.xyz' 2025-08-31T10:10:26,287 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monB_3B-69.xyz' 2025-08-31T10:10:26,288 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monC_3B-69.xyz' 2025-08-31T10:10:26,289 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAB_3B-69.xyz' 2025-08-31T10:10:26,291 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAC_3B-69.xyz' 2025-08-31T10:10:26,292 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimBC_3B-69.xyz' 2025-08-31T10:10:26,293 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monA_3B-69.xyz' 2025-08-31T10:10:26,294 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monB_3B-69.xyz' 2025-08-31T10:10:26,296 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monC_3B-69.xyz' 2025-08-31T10:10:26,297 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAB_3B-69.xyz' 2025-08-31T10:10:26,298 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAC_3B-69.xyz' 2025-08-31T10:10:26,300 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimBC_3B-69.xyz' 2025-08-31T10:10:26,301 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monA_3B-69.xyz' 2025-08-31T10:10:26,302 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monB_3B-69.xyz' 2025-08-31T10:10:26,304 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monC_3B-69.xyz' 2025-08-31T10:10:26,305 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAB_3B-69.xyz' 2025-08-31T10:10:26,306 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAC_3B-69.xyz' 2025-08-31T10:10:26,307 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimBC_3B-69.xyz' 2025-08-31T10:10:26,308 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monA_3B-69.xyz' 2025-08-31T10:10:26,310 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monB_3B-69.xyz' 2025-08-31T10:10:26,311 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monC_3B-69.xyz' 2025-08-31T10:10:26,312 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAB_3B-69.xyz' 2025-08-31T10:10:26,313 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAC_3B-69.xyz' 2025-08-31T10:10:26,314 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimBC_3B-69.xyz' 2025-08-31T10:10:26,316 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,317 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,318 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,319 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAB_3B-69.xyz' 2025-08-31T10:10:26,320 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAC_3B-69.xyz' 2025-08-31T10:10:26,321 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimBC_3B-69.xyz' 2025-08-31T10:10:26,323 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,324 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,325 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,326 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAB_3B-69.xyz' 2025-08-31T10:10:26,328 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAC_3B-69.xyz' 2025-08-31T10:10:26,329 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimBC_3B-69.xyz' 2025-08-31T10:10:26,330 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,331 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,332 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,333 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAB_3B-69.xyz' 2025-08-31T10:10:26,334 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAC_3B-69.xyz' 2025-08-31T10:10:26,335 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimBC_3B-69.xyz' 2025-08-31T10:10:26,336 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monA_3B-69.xyz' 2025-08-31T10:10:26,338 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monB_3B-69.xyz' 2025-08-31T10:10:26,339 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monC_3B-69.xyz' 2025-08-31T10:10:26,340 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAB_3B-69.xyz' 2025-08-31T10:10:26,341 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAC_3B-69.xyz' 2025-08-31T10:10:26,342 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimBC_3B-69.xyz' 2025-08-31T10:10:26,343 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monA_3B-69.xyz' 2025-08-31T10:10:26,344 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monB_3B-69.xyz' 2025-08-31T10:10:26,346 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monC_3B-69.xyz' 2025-08-31T10:10:26,347 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAB_3B-69.xyz' 2025-08-31T10:10:26,348 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAC_3B-69.xyz' 2025-08-31T10:10:26,349 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimBC_3B-69.xyz' 2025-08-31T10:10:26,350 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monA_3B-69.xyz' 2025-08-31T10:10:26,351 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monB_3B-69.xyz' 2025-08-31T10:10:26,353 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monC_3B-69.xyz' 2025-08-31T10:10:26,354 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAB_3B-69.xyz' 2025-08-31T10:10:26,355 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAC_3B-69.xyz' 2025-08-31T10:10:26,357 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimBC_3B-69.xyz' 2025-08-31T10:10:26,358 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monA_3B-69.xyz' 2025-08-31T10:10:26,359 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monB_3B-69.xyz' 2025-08-31T10:10:26,360 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monC_3B-69.xyz' 2025-08-31T10:10:26,361 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAB_3B-69.xyz' 2025-08-31T10:10:26,363 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAC_3B-69.xyz' 2025-08-31T10:10:26,364 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimBC_3B-69.xyz' 2025-08-31T10:10:26,365 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monA_3B-69.xyz' 2025-08-31T10:10:26,367 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monB_3B-69.xyz' 2025-08-31T10:10:26,368 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monC_3B-69.xyz' 2025-08-31T10:10:26,369 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAB_3B-69.xyz' 2025-08-31T10:10:26,370 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAC_3B-69.xyz' 2025-08-31T10:10:26,371 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimBC_3B-69.xyz' 2025-08-31T10:10:26,373 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monA_3B-69.xyz' 2025-08-31T10:10:26,374 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monB_3B-69.xyz' 2025-08-31T10:10:26,375 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monC_3B-69.xyz' 2025-08-31T10:10:26,377 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAB_3B-69.xyz' 2025-08-31T10:10:26,378 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAC_3B-69.xyz' 2025-08-31T10:10:26,379 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimBC_3B-69.xyz' 2025-08-31T10:10:26,380 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monA_3B-69.xyz' 2025-08-31T10:10:26,381 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monB_3B-69.xyz' 2025-08-31T10:10:26,383 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monC_3B-69.xyz' 2025-08-31T10:10:26,384 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAB_3B-69.xyz' 2025-08-31T10:10:26,385 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAC_3B-69.xyz' 2025-08-31T10:10:26,386 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimBC_3B-69.xyz' 2025-08-31T10:10:26,388 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monA_3B-69.xyz' 2025-08-31T10:10:26,389 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monB_3B-69.xyz' 2025-08-31T10:10:26,390 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monC_3B-69.xyz' 2025-08-31T10:10:26,391 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAB_3B-69.xyz' 2025-08-31T10:10:26,392 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAC_3B-69.xyz' 2025-08-31T10:10:26,394 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimBC_3B-69.xyz' 2025-08-31T10:10:26,395 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monA_3B-69.xyz' 2025-08-31T10:10:26,396 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monB_3B-69.xyz' 2025-08-31T10:10:26,397 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monC_3B-69.xyz' 2025-08-31T10:10:26,404 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monA_3B-69.xyz' 2025-08-31T10:10:26,405 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monB_3B-69.xyz' 2025-08-31T10:10:26,406 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monC_3B-69.xyz' 2025-08-31T10:10:26,407 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_trim_3B-69.xyz' 2025-08-31T10:10:26,408 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monA_3B-69.xyz' 2025-08-31T10:10:26,410 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monB_3B-69.xyz' 2025-08-31T10:10:26,411 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monC_3B-69.xyz' 2025-08-31T10:10:26,412 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_trim_3B-69.xyz' 2025-08-31T10:10:26,413 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monA_3B-69.xyz' 2025-08-31T10:10:26,414 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monB_3B-69.xyz' 2025-08-31T10:10:26,416 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monC_3B-69.xyz' 2025-08-31T10:10:26,417 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_trim_3B-69.xyz' 2025-08-31T10:10:26,418 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monA_3B-69.xyz' 2025-08-31T10:10:26,419 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monB_3B-69.xyz' 2025-08-31T10:10:26,420 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monC_3B-69.xyz' 2025-08-31T10:10:26,421 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_trim_3B-69.xyz' 2025-08-31T10:10:26,423 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monA_3B-69.xyz' 2025-08-31T10:10:26,424 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monB_3B-69.xyz' 2025-08-31T10:10:26,425 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monC_3B-69.xyz' 2025-08-31T10:10:26,426 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_trim_3B-69.xyz' 2025-08-31T10:10:26,427 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monA_3B-69.xyz' 2025-08-31T10:10:26,429 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monB_3B-69.xyz' 2025-08-31T10:10:26,430 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monC_3B-69.xyz' 2025-08-31T10:10:26,431 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_trim_3B-69.xyz' 2025-08-31T10:10:26,432 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monA_3B-69.xyz' 2025-08-31T10:10:26,433 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monB_3B-69.xyz' 2025-08-31T10:10:26,434 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monC_3B-69.xyz' 2025-08-31T10:10:26,436 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_trim_3B-69.xyz' 2025-08-31T10:10:26,437 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monA_3B-69.xyz' 2025-08-31T10:10:26,438 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monB_3B-69.xyz' 2025-08-31T10:10:26,439 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monC_3B-69.xyz' 2025-08-31T10:10:26,440 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_trim_3B-69.xyz' 2025-08-31T10:10:26,441 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monA_3B-69.xyz' 2025-08-31T10:10:26,442 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monB_3B-69.xyz' 2025-08-31T10:10:26,444 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monC_3B-69.xyz' 2025-08-31T10:10:26,445 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_trim_3B-69.xyz' 2025-08-31T10:10:26,446 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monA_3B-69.xyz' 2025-08-31T10:10:26,447 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monB_3B-69.xyz' 2025-08-31T10:10:26,448 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monC_3B-69.xyz' 2025-08-31T10:10:26,449 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_trim_3B-69.xyz' 2025-08-31T10:10:26,451 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monA_3B-69.xyz' 2025-08-31T10:10:26,452 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monB_3B-69.xyz' 2025-08-31T10:10:26,453 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monC_3B-69.xyz' 2025-08-31T10:10:26,454 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_trim_3B-69.xyz' 2025-08-31T10:10:26,455 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monA_3B-69.xyz' 2025-08-31T10:10:26,457 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monB_3B-69.xyz' 2025-08-31T10:10:26,458 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monC_3B-69.xyz' 2025-08-31T10:10:26,459 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_trim_3B-69.xyz' 2025-08-31T10:10:26,460 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monA_3B-69.xyz' 2025-08-31T10:10:26,462 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monB_3B-69.xyz' 2025-08-31T10:10:26,463 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monC_3B-69.xyz' 2025-08-31T10:10:26,464 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_trim_3B-69.xyz' 2025-08-31T10:10:26,465 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monA_3B-69.xyz' 2025-08-31T10:10:26,466 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monB_3B-69.xyz' 2025-08-31T10:10:26,468 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monC_3B-69.xyz' 2025-08-31T10:10:26,469 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_trim_3B-69.xyz' 2025-08-31T10:10:26,470 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monA_3B-69.xyz' 2025-08-31T10:10:26,471 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monB_3B-69.xyz' 2025-08-31T10:10:26,472 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monC_3B-69.xyz' 2025-08-31T10:10:26,473 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_trim_3B-69.xyz' 2025-08-31T10:10:26,474 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,475 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,476 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,477 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_trim_3B-69.xyz' 2025-08-31T10:10:26,479 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,480 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,481 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,482 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_trim_3B-69.xyz' 2025-08-31T10:10:26,483 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,484 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,486 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,487 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_trim_3B-69.xyz' 2025-08-31T10:10:26,488 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,489 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,490 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,491 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_trim_3B-69.xyz' 2025-08-31T10:10:26,492 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,493 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,495 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,496 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_trim_3B-69.xyz' 2025-08-31T10:10:26,497 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,498 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,499 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,500 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_trim_3B-69.xyz' 2025-08-31T10:10:26,501 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monA_3B-69.xyz' 2025-08-31T10:10:26,503 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monB_3B-69.xyz' 2025-08-31T10:10:26,504 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monC_3B-69.xyz' 2025-08-31T10:10:26,505 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_trim_3B-69.xyz' 2025-08-31T10:10:26,506 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monA_3B-69.xyz' 2025-08-31T10:10:26,507 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monB_3B-69.xyz' 2025-08-31T10:10:26,509 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monC_3B-69.xyz' 2025-08-31T10:10:26,510 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_trim_3B-69.xyz' 2025-08-31T10:10:26,511 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monA_3B-69.xyz' 2025-08-31T10:10:26,512 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monB_3B-69.xyz' 2025-08-31T10:10:26,513 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monC_3B-69.xyz' 2025-08-31T10:10:26,514 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_trim_3B-69.xyz' 2025-08-31T10:10:26,515 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monA_3B-69.xyz' 2025-08-31T10:10:26,516 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monB_3B-69.xyz' 2025-08-31T10:10:26,517 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monC_3B-69.xyz' 2025-08-31T10:10:26,519 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_trim_3B-69.xyz' 2025-08-31T10:10:26,520 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monA_3B-69.xyz' 2025-08-31T10:10:26,521 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monB_3B-69.xyz' 2025-08-31T10:10:26,522 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monC_3B-69.xyz' 2025-08-31T10:10:26,523 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_trim_3B-69.xyz' 2025-08-31T10:10:26,525 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monA_3B-69.xyz' 2025-08-31T10:10:26,526 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monB_3B-69.xyz' 2025-08-31T10:10:26,527 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monC_3B-69.xyz' 2025-08-31T10:10:26,528 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_trim_3B-69.xyz' 2025-08-31T10:10:26,529 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monA_3B-69.xyz' 2025-08-31T10:10:26,530 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monB_3B-69.xyz' 2025-08-31T10:10:26,532 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monC_3B-69.xyz' 2025-08-31T10:10:26,533 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_trim_3B-69.xyz' 2025-08-31T10:10:26,534 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monA_3B-69.xyz' 2025-08-31T10:10:26,535 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monB_3B-69.xyz' 2025-08-31T10:10:26,536 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monC_3B-69.xyz' 2025-08-31T10:10:26,538 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_trim_3B-69.xyz' 2025-08-31T10:10:26,539 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monA_3B-69.xyz' 2025-08-31T10:10:26,540 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monB_3B-69.xyz' 2025-08-31T10:10:26,541 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monC_3B-69.xyz' 2025-08-31T10:10:26,542 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_trim_3B-69.xyz' 2025-08-31T10:10:26,544 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monA_3B-69.xyz' 2025-08-31T10:10:26,545 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monB_3B-69.xyz' 2025-08-31T10:10:26,546 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monC_3B-69.xyz' 2025-08-31T10:10:26,547 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_trim_3B-69.xyz' 2025-08-31T10:10:26,549 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monA_3B-69.xyz' 2025-08-31T10:10:26,550 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monB_3B-69.xyz' 2025-08-31T10:10:26,551 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monC_3B-69.xyz' 2025-08-31T10:10:26,552 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_trim_3B-69.xyz' 2025-08-31T10:10:26,554 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monA_3B-69.xyz' 2025-08-31T10:10:26,555 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monB_3B-69.xyz' 2025-08-31T10:10:26,556 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monC_3B-69.xyz' 2025-08-31T10:10:26,557 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_trim_3B-69.xyz' 2025-08-31T10:10:26,558 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monA_3B-69.xyz' 2025-08-31T10:10:26,559 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monB_3B-69.xyz' 2025-08-31T10:10:26,560 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monC_3B-69.xyz' 2025-08-31T10:10:26,561 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_trim_3B-69.xyz' 2025-08-31T10:10:26,562 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monA_3B-69.xyz' 2025-08-31T10:10:26,563 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monB_3B-69.xyz' 2025-08-31T10:10:26,565 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monC_3B-69.xyz' 2025-08-31T10:10:26,566 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_trim_3B-69.xyz' 2025-08-31T10:10:26,567 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monA_3B-69.xyz' 2025-08-31T10:10:26,568 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monB_3B-69.xyz' 2025-08-31T10:10:26,569 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monC_3B-69.xyz' 2025-08-31T10:10:26,571 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_trim_3B-69.xyz' 2025-08-31T10:10:26,572 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monA_3B-69.xyz' 2025-08-31T10:10:26,573 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monB_3B-69.xyz' 2025-08-31T10:10:26,574 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monC_3B-69.xyz' 2025-08-31T10:10:26,575 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_trim_3B-69.xyz' 2025-08-31T10:10:26,576 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monA_3B-69.xyz' 2025-08-31T10:10:26,577 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monB_3B-69.xyz' 2025-08-31T10:10:26,579 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monC_3B-69.xyz' 2025-08-31T10:10:26,580 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_trim_3B-69.xyz' 2025-08-31T10:10:26,581 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monA_3B-69.xyz' 2025-08-31T10:10:26,582 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monB_3B-69.xyz' 2025-08-31T10:10:26,583 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monC_3B-69.xyz' 2025-08-31T10:10:26,584 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_trim_3B-69.xyz' 2025-08-31T10:10:26,586 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monA_3B-69.xyz' 2025-08-31T10:10:26,587 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monB_3B-69.xyz' 2025-08-31T10:10:26,588 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monC_3B-69.xyz' 2025-08-31T10:10:26,589 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_trim_3B-69.xyz' 2025-08-31T10:10:26,591 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monA_3B-69.xyz' 2025-08-31T10:10:26,592 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monB_3B-69.xyz' 2025-08-31T10:10:26,593 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monC_3B-69.xyz' 2025-08-31T10:10:26,594 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_trim_3B-69.xyz' 2025-08-31T10:10:26,596 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monA_3B-69.xyz' 2025-08-31T10:10:26,597 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monB_3B-69.xyz' 2025-08-31T10:10:26,598 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monC_3B-69.xyz' 2025-08-31T10:10:26,599 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_trim_3B-69.xyz' 2025-08-31T10:10:26,600 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monA_3B-69.xyz' 2025-08-31T10:10:26,601 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monB_3B-69.xyz' 2025-08-31T10:10:26,602 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monC_3B-69.xyz' 2025-08-31T10:10:26,604 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_trim_3B-69.xyz' 2025-08-31T10:10:26,605 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monA_3B-69.xyz' 2025-08-31T10:10:26,606 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monB_3B-69.xyz' 2025-08-31T10:10:26,607 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monC_3B-69.xyz' 2025-08-31T10:10:26,608 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_trim_3B-69.xyz' 2025-08-31T10:10:26,609 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monA_3B-69.xyz' 2025-08-31T10:10:26,610 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monB_3B-69.xyz' 2025-08-31T10:10:26,612 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monC_3B-69.xyz' 2025-08-31T10:10:26,613 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_trim_3B-69.xyz' 2025-08-31T10:10:26,614 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monA_3B-69.xyz' 2025-08-31T10:10:26,615 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monB_3B-69.xyz' 2025-08-31T10:10:26,616 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monC_3B-69.xyz' 2025-08-31T10:10:26,617 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_trim_3B-69.xyz' 2025-08-31T10:10:26,618 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monA_3B-69.xyz' 2025-08-31T10:10:26,620 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monB_3B-69.xyz' 2025-08-31T10:10:26,621 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monC_3B-69.xyz' 2025-08-31T10:10:26,622 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_trim_3B-69.xyz' 2025-08-31T10:10:26,623 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monA_3B-69.xyz' 2025-08-31T10:10:26,624 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monB_3B-69.xyz' 2025-08-31T10:10:26,626 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monC_3B-69.xyz' 2025-08-31T10:10:26,627 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_trim_3B-69.xyz' 2025-08-31T10:10:26,628 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monA_3B-69.xyz' 2025-08-31T10:10:26,629 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monB_3B-69.xyz' 2025-08-31T10:10:26,630 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monC_3B-69.xyz' 2025-08-31T10:10:26,632 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_trim_3B-69.xyz' 2025-08-31T10:10:26,633 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monA_3B-69.xyz' 2025-08-31T10:10:26,634 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monB_3B-69.xyz' 2025-08-31T10:10:26,635 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monC_3B-69.xyz' 2025-08-31T10:10:26,637 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_trim_3B-69.xyz' 2025-08-31T10:10:26,638 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monA_3B-69.xyz' 2025-08-31T10:10:26,639 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monB_3B-69.xyz' 2025-08-31T10:10:26,640 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monC_3B-69.xyz' 2025-08-31T10:10:26,641 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_trim_3B-69.xyz' 2025-08-31T10:10:26,642 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monA_3B-69.xyz' 2025-08-31T10:10:26,643 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monB_3B-69.xyz' 2025-08-31T10:10:26,644 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monC_3B-69.xyz' 2025-08-31T10:10:26,646 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_trim_3B-69.xyz' 2025-08-31T10:10:26,647 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monA_3B-69.xyz' 2025-08-31T10:10:26,648 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monB_3B-69.xyz' 2025-08-31T10:10:26,649 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monC_3B-69.xyz' 2025-08-31T10:10:26,650 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_trim_3B-69.xyz' 2025-08-31T10:10:26,651 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monA_3B-69.xyz' 2025-08-31T10:10:26,652 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monB_3B-69.xyz' 2025-08-31T10:10:26,654 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monC_3B-69.xyz' 2025-08-31T10:10:26,655 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_trim_3B-69.xyz' 2025-08-31T10:10:26,656 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monA_3B-69.xyz' 2025-08-31T10:10:26,657 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monB_3B-69.xyz' 2025-08-31T10:10:26,659 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monC_3B-69.xyz' 2025-08-31T10:10:26,660 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_trim_3B-69.xyz' 2025-08-31T10:10:26,661 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monA_3B-69.xyz' 2025-08-31T10:10:26,662 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monB_3B-69.xyz' 2025-08-31T10:10:26,663 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monC_3B-69.xyz' 2025-08-31T10:10:26,665 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_trim_3B-69.xyz' 2025-08-31T10:10:26,666 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monA_3B-69.xyz' 2025-08-31T10:10:26,667 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monB_3B-69.xyz' 2025-08-31T10:10:26,668 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monC_3B-69.xyz' 2025-08-31T10:10:26,669 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_trim_3B-69.xyz' 2025-08-31T10:10:26,671 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,672 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,673 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,674 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_trim_3B-69.xyz' 2025-08-31T10:10:26,676 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,677 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,678 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,679 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_trim_3B-69.xyz' 2025-08-31T10:10:26,680 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monA_3B-69.xyz' 2025-08-31T10:10:26,682 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monB_3B-69.xyz' 2025-08-31T10:10:26,683 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monC_3B-69.xyz' 2025-08-31T10:10:26,684 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_trim_3B-69.xyz' 2025-08-31T10:10:26,685 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monA_3B-69.xyz' 2025-08-31T10:10:26,686 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monB_3B-69.xyz' 2025-08-31T10:10:26,688 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monC_3B-69.xyz' 2025-08-31T10:10:26,689 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_trim_3B-69.xyz' 2025-08-31T10:10:26,690 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monA_3B-69.xyz' 2025-08-31T10:10:26,691 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monB_3B-69.xyz' 2025-08-31T10:10:26,692 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monC_3B-69.xyz' 2025-08-31T10:10:26,693 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_trim_3B-69.xyz' 2025-08-31T10:10:26,694 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monA_3B-69.xyz' 2025-08-31T10:10:26,696 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monB_3B-69.xyz' 2025-08-31T10:10:26,697 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monC_3B-69.xyz' 2025-08-31T10:10:26,698 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_trim_3B-69.xyz' 2025-08-31T10:10:26,699 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monA_3B-69.xyz' 2025-08-31T10:10:26,700 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monB_3B-69.xyz' 2025-08-31T10:10:26,701 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monC_3B-69.xyz' 2025-08-31T10:10:26,702 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_trim_3B-69.xyz' 2025-08-31T10:10:26,704 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monA_3B-69.xyz' 2025-08-31T10:10:26,705 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monB_3B-69.xyz' 2025-08-31T10:10:26,706 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monC_3B-69.xyz' 2025-08-31T10:10:26,707 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_trim_3B-69.xyz' 2025-08-31T10:10:26,708 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monA_3B-69.xyz' 2025-08-31T10:10:26,709 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monB_3B-69.xyz' 2025-08-31T10:10:26,711 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monC_3B-69.xyz' 2025-08-31T10:10:26,712 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_trim_3B-69.xyz' 2025-08-31T10:10:26,713 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monA_3B-69.xyz' 2025-08-31T10:10:26,714 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monB_3B-69.xyz' 2025-08-31T10:10:26,715 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monC_3B-69.xyz' 2025-08-31T10:10:26,717 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_trim_3B-69.xyz' 2025-08-31T10:10:26,718 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monA_3B-69.xyz' 2025-08-31T10:10:26,719 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monB_3B-69.xyz' 2025-08-31T10:10:26,720 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monC_3B-69.xyz' 2025-08-31T10:10:26,722 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_trim_3B-69.xyz' 2025-08-31T10:10:26,723 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monA_3B-69.xyz' 2025-08-31T10:10:26,724 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monB_3B-69.xyz' 2025-08-31T10:10:26,725 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monC_3B-69.xyz' 2025-08-31T10:10:26,727 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_trim_3B-69.xyz' 2025-08-31T10:10:26,734 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_0p9_dim_A21x12.xyz' 2025-08-31T10:10:26,735 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_dim_A21x12.xyz' 2025-08-31T10:10:26,736 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monA_A21x12.xyz' 2025-08-31T10:10:26,737 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monB_A21x12.xyz' 2025-08-31T10:10:26,738 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p1_dim_A21x12.xyz' 2025-08-31T10:10:26,739 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p2_dim_A21x12.xyz' 2025-08-31T10:10:26,740 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p3_dim_A21x12.xyz' 2025-08-31T10:10:26,741 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p4_dim_A21x12.xyz' 2025-08-31T10:10:26,742 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p5_dim_A21x12.xyz' 2025-08-31T10:10:26,743 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p6_dim_A21x12.xyz' 2025-08-31T10:10:26,745 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p7_dim_A21x12.xyz' 2025-08-31T10:10:26,746 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p8_dim_A21x12.xyz' 2025-08-31T10:10:26,747 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p9_dim_A21x12.xyz' 2025-08-31T10:10:26,748 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_2p0_dim_A21x12.xyz' 2025-08-31T10:10:26,749 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_0p9_dim_A21x12.xyz' 2025-08-31T10:10:26,750 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_dim_A21x12.xyz' 2025-08-31T10:10:26,751 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monA_A21x12.xyz' 2025-08-31T10:10:26,752 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monB_A21x12.xyz' 2025-08-31T10:10:26,753 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p1_dim_A21x12.xyz' 2025-08-31T10:10:26,755 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p2_dim_A21x12.xyz' 2025-08-31T10:10:26,756 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p3_dim_A21x12.xyz' 2025-08-31T10:10:26,757 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p4_dim_A21x12.xyz' 2025-08-31T10:10:26,758 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p5_dim_A21x12.xyz' 2025-08-31T10:10:26,759 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p6_dim_A21x12.xyz' 2025-08-31T10:10:26,760 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p7_dim_A21x12.xyz' 2025-08-31T10:10:26,762 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p8_dim_A21x12.xyz' 2025-08-31T10:10:26,763 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p9_dim_A21x12.xyz' 2025-08-31T10:10:26,764 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_2p0_dim_A21x12.xyz' 2025-08-31T10:10:26,765 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_0p9_dim_A21x12.xyz' 2025-08-31T10:10:26,766 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_dim_A21x12.xyz' 2025-08-31T10:10:26,767 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monA_A21x12.xyz' 2025-08-31T10:10:26,768 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monB_A21x12.xyz' 2025-08-31T10:10:26,770 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p1_dim_A21x12.xyz' 2025-08-31T10:10:26,771 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p2_dim_A21x12.xyz' 2025-08-31T10:10:26,772 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p3_dim_A21x12.xyz' 2025-08-31T10:10:26,773 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p4_dim_A21x12.xyz' 2025-08-31T10:10:26,774 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p5_dim_A21x12.xyz' 2025-08-31T10:10:26,775 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p6_dim_A21x12.xyz' 2025-08-31T10:10:26,777 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p7_dim_A21x12.xyz' 2025-08-31T10:10:26,778 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p8_dim_A21x12.xyz' 2025-08-31T10:10:26,779 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p9_dim_A21x12.xyz' 2025-08-31T10:10:26,780 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_2p0_dim_A21x12.xyz' 2025-08-31T10:10:26,781 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_0p9_dim_A21x12.xyz' 2025-08-31T10:10:26,782 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_dim_A21x12.xyz' 2025-08-31T10:10:26,783 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monA_A21x12.xyz' 2025-08-31T10:10:26,784 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monB_A21x12.xyz' 2025-08-31T10:10:26,785 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p1_dim_A21x12.xyz' 2025-08-31T10:10:26,786 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p2_dim_A21x12.xyz' 2025-08-31T10:10:26,787 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p3_dim_A21x12.xyz' 2025-08-31T10:10:26,788 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p4_dim_A21x12.xyz' 2025-08-31T10:10:26,789 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p5_dim_A21x12.xyz' 2025-08-31T10:10:26,791 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p6_dim_A21x12.xyz' 2025-08-31T10:10:26,792 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p7_dim_A21x12.xyz' 2025-08-31T10:10:26,793 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p8_dim_A21x12.xyz' 2025-08-31T10:10:26,794 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p9_dim_A21x12.xyz' 2025-08-31T10:10:26,795 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_2p0_dim_A21x12.xyz' 2025-08-31T10:10:26,796 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_0p9_dim_A21x12.xyz' 2025-08-31T10:10:26,797 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_dim_A21x12.xyz' 2025-08-31T10:10:26,798 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monA_A21x12.xyz' 2025-08-31T10:10:26,799 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monB_A21x12.xyz' 2025-08-31T10:10:26,800 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p1_dim_A21x12.xyz' 2025-08-31T10:10:26,802 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p2_dim_A21x12.xyz' 2025-08-31T10:10:26,803 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p3_dim_A21x12.xyz' 2025-08-31T10:10:26,804 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p4_dim_A21x12.xyz' 2025-08-31T10:10:26,805 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p5_dim_A21x12.xyz' 2025-08-31T10:10:26,806 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p6_dim_A21x12.xyz' 2025-08-31T10:10:26,807 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p7_dim_A21x12.xyz' 2025-08-31T10:10:26,808 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p8_dim_A21x12.xyz' 2025-08-31T10:10:26,809 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p9_dim_A21x12.xyz' 2025-08-31T10:10:26,811 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_2p0_dim_A21x12.xyz' 2025-08-31T10:10:26,812 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_0p9_dim_A21x12.xyz' 2025-08-31T10:10:26,813 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_dim_A21x12.xyz' 2025-08-31T10:10:26,814 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monA_A21x12.xyz' 2025-08-31T10:10:26,815 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monB_A21x12.xyz' 2025-08-31T10:10:26,816 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p1_dim_A21x12.xyz' 2025-08-31T10:10:26,817 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p2_dim_A21x12.xyz' 2025-08-31T10:10:26,819 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p3_dim_A21x12.xyz' 2025-08-31T10:10:26,820 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p4_dim_A21x12.xyz' 2025-08-31T10:10:26,821 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p5_dim_A21x12.xyz' 2025-08-31T10:10:26,822 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p6_dim_A21x12.xyz' 2025-08-31T10:10:26,823 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p7_dim_A21x12.xyz' 2025-08-31T10:10:26,824 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p8_dim_A21x12.xyz' 2025-08-31T10:10:26,825 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p9_dim_A21x12.xyz' 2025-08-31T10:10:26,826 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_2p0_dim_A21x12.xyz' 2025-08-31T10:10:26,827 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_0p9_dim_A21x12.xyz' 2025-08-31T10:10:26,828 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_dim_A21x12.xyz' 2025-08-31T10:10:26,829 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monA_A21x12.xyz' 2025-08-31T10:10:26,830 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monB_A21x12.xyz' 2025-08-31T10:10:26,831 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p1_dim_A21x12.xyz' 2025-08-31T10:10:26,832 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p2_dim_A21x12.xyz' 2025-08-31T10:10:26,833 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p3_dim_A21x12.xyz' 2025-08-31T10:10:26,835 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p4_dim_A21x12.xyz' 2025-08-31T10:10:26,836 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p5_dim_A21x12.xyz' 2025-08-31T10:10:26,837 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p6_dim_A21x12.xyz' 2025-08-31T10:10:26,838 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p7_dim_A21x12.xyz' 2025-08-31T10:10:26,839 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p8_dim_A21x12.xyz' 2025-08-31T10:10:26,840 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p9_dim_A21x12.xyz' 2025-08-31T10:10:26,841 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_2p0_dim_A21x12.xyz' 2025-08-31T10:10:26,842 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_0p9_dim_A21x12.xyz' 2025-08-31T10:10:26,844 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_dim_A21x12.xyz' 2025-08-31T10:10:26,845 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monA_A21x12.xyz' 2025-08-31T10:10:26,846 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monB_A21x12.xyz' 2025-08-31T10:10:26,847 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p1_dim_A21x12.xyz' 2025-08-31T10:10:26,848 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p2_dim_A21x12.xyz' 2025-08-31T10:10:26,849 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p3_dim_A21x12.xyz' 2025-08-31T10:10:26,850 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p4_dim_A21x12.xyz' 2025-08-31T10:10:26,852 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p5_dim_A21x12.xyz' 2025-08-31T10:10:26,853 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p6_dim_A21x12.xyz' 2025-08-31T10:10:26,854 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p7_dim_A21x12.xyz' 2025-08-31T10:10:26,855 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p8_dim_A21x12.xyz' 2025-08-31T10:10:26,856 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p9_dim_A21x12.xyz' 2025-08-31T10:10:26,857 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_2p0_dim_A21x12.xyz' 2025-08-31T10:10:26,858 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_0p9_dim_A21x12.xyz' 2025-08-31T10:10:26,860 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_dim_A21x12.xyz' 2025-08-31T10:10:26,861 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monA_A21x12.xyz' 2025-08-31T10:10:26,862 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monB_A21x12.xyz' 2025-08-31T10:10:26,863 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p1_dim_A21x12.xyz' 2025-08-31T10:10:26,864 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p2_dim_A21x12.xyz' 2025-08-31T10:10:26,865 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p3_dim_A21x12.xyz' 2025-08-31T10:10:26,866 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p4_dim_A21x12.xyz' 2025-08-31T10:10:26,867 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p5_dim_A21x12.xyz' 2025-08-31T10:10:26,868 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p6_dim_A21x12.xyz' 2025-08-31T10:10:26,869 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p7_dim_A21x12.xyz' 2025-08-31T10:10:26,870 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p8_dim_A21x12.xyz' 2025-08-31T10:10:26,871 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p9_dim_A21x12.xyz' 2025-08-31T10:10:26,873 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_2p0_dim_A21x12.xyz' 2025-08-31T10:10:26,874 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_0p9_dim_A21x12.xyz' 2025-08-31T10:10:26,875 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_dim_A21x12.xyz' 2025-08-31T10:10:26,876 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monA_A21x12.xyz' 2025-08-31T10:10:26,877 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monB_A21x12.xyz' 2025-08-31T10:10:26,878 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p1_dim_A21x12.xyz' 2025-08-31T10:10:26,879 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p2_dim_A21x12.xyz' 2025-08-31T10:10:26,880 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p3_dim_A21x12.xyz' 2025-08-31T10:10:26,882 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p4_dim_A21x12.xyz' 2025-08-31T10:10:26,883 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p5_dim_A21x12.xyz' 2025-08-31T10:10:26,884 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p6_dim_A21x12.xyz' 2025-08-31T10:10:26,885 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p7_dim_A21x12.xyz' 2025-08-31T10:10:26,886 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p8_dim_A21x12.xyz' 2025-08-31T10:10:26,887 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p9_dim_A21x12.xyz' 2025-08-31T10:10:26,889 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_2p0_dim_A21x12.xyz' 2025-08-31T10:10:26,890 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_0p9_dim_A21x12.xyz' 2025-08-31T10:10:26,891 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_dim_A21x12.xyz' 2025-08-31T10:10:26,892 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monA_A21x12.xyz' 2025-08-31T10:10:26,893 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monB_A21x12.xyz' 2025-08-31T10:10:26,894 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p1_dim_A21x12.xyz' 2025-08-31T10:10:26,896 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p2_dim_A21x12.xyz' 2025-08-31T10:10:26,897 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p3_dim_A21x12.xyz' 2025-08-31T10:10:26,898 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p4_dim_A21x12.xyz' 2025-08-31T10:10:26,899 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p5_dim_A21x12.xyz' 2025-08-31T10:10:26,900 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p6_dim_A21x12.xyz' 2025-08-31T10:10:26,902 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p7_dim_A21x12.xyz' 2025-08-31T10:10:26,903 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p8_dim_A21x12.xyz' 2025-08-31T10:10:26,904 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p9_dim_A21x12.xyz' 2025-08-31T10:10:26,905 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_2p0_dim_A21x12.xyz' 2025-08-31T10:10:26,906 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_0p9_dim_A21x12.xyz' 2025-08-31T10:10:26,907 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_dim_A21x12.xyz' 2025-08-31T10:10:26,908 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monA_A21x12.xyz' 2025-08-31T10:10:26,909 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monB_A21x12.xyz' 2025-08-31T10:10:26,910 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p1_dim_A21x12.xyz' 2025-08-31T10:10:26,911 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p2_dim_A21x12.xyz' 2025-08-31T10:10:26,912 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p3_dim_A21x12.xyz' 2025-08-31T10:10:26,913 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p4_dim_A21x12.xyz' 2025-08-31T10:10:26,914 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p5_dim_A21x12.xyz' 2025-08-31T10:10:26,916 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p6_dim_A21x12.xyz' 2025-08-31T10:10:26,917 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p7_dim_A21x12.xyz' 2025-08-31T10:10:26,918 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p8_dim_A21x12.xyz' 2025-08-31T10:10:26,919 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p9_dim_A21x12.xyz' 2025-08-31T10:10:26,920 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_2p0_dim_A21x12.xyz' 2025-08-31T10:10:26,921 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_0p9_dim_A21x12.xyz' 2025-08-31T10:10:26,922 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_dim_A21x12.xyz' 2025-08-31T10:10:26,924 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monA_A21x12.xyz' 2025-08-31T10:10:26,925 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monB_A21x12.xyz' 2025-08-31T10:10:26,926 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p1_dim_A21x12.xyz' 2025-08-31T10:10:26,927 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p2_dim_A21x12.xyz' 2025-08-31T10:10:26,928 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p3_dim_A21x12.xyz' 2025-08-31T10:10:26,929 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p4_dim_A21x12.xyz' 2025-08-31T10:10:26,930 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p5_dim_A21x12.xyz' 2025-08-31T10:10:26,932 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p6_dim_A21x12.xyz' 2025-08-31T10:10:26,933 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p7_dim_A21x12.xyz' 2025-08-31T10:10:26,934 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p8_dim_A21x12.xyz' 2025-08-31T10:10:26,935 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p9_dim_A21x12.xyz' 2025-08-31T10:10:26,936 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_2p0_dim_A21x12.xyz' 2025-08-31T10:10:26,937 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_0p9_dim_A21x12.xyz' 2025-08-31T10:10:26,939 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_dim_A21x12.xyz' 2025-08-31T10:10:26,940 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monA_A21x12.xyz' 2025-08-31T10:10:26,941 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monB_A21x12.xyz' 2025-08-31T10:10:26,942 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p1_dim_A21x12.xyz' 2025-08-31T10:10:26,943 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p2_dim_A21x12.xyz' 2025-08-31T10:10:26,944 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p3_dim_A21x12.xyz' 2025-08-31T10:10:26,945 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p4_dim_A21x12.xyz' 2025-08-31T10:10:26,946 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p5_dim_A21x12.xyz' 2025-08-31T10:10:26,947 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p6_dim_A21x12.xyz' 2025-08-31T10:10:26,948 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p7_dim_A21x12.xyz' 2025-08-31T10:10:26,950 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p8_dim_A21x12.xyz' 2025-08-31T10:10:26,951 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p9_dim_A21x12.xyz' 2025-08-31T10:10:26,952 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_2p0_dim_A21x12.xyz' 2025-08-31T10:10:26,953 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_0p9_dim_A21x12.xyz' 2025-08-31T10:10:26,954 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_dim_A21x12.xyz' 2025-08-31T10:10:26,955 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monA_A21x12.xyz' 2025-08-31T10:10:26,956 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monB_A21x12.xyz' 2025-08-31T10:10:26,957 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p1_dim_A21x12.xyz' 2025-08-31T10:10:26,958 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p2_dim_A21x12.xyz' 2025-08-31T10:10:26,960 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p3_dim_A21x12.xyz' 2025-08-31T10:10:26,961 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p4_dim_A21x12.xyz' 2025-08-31T10:10:26,962 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p5_dim_A21x12.xyz' 2025-08-31T10:10:26,963 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p6_dim_A21x12.xyz' 2025-08-31T10:10:26,964 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p7_dim_A21x12.xyz' 2025-08-31T10:10:26,965 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p8_dim_A21x12.xyz' 2025-08-31T10:10:26,966 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p9_dim_A21x12.xyz' 2025-08-31T10:10:26,967 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_2p0_dim_A21x12.xyz' 2025-08-31T10:10:26,969 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_0p9_dim_A21x12.xyz' 2025-08-31T10:10:26,970 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_dim_A21x12.xyz' 2025-08-31T10:10:26,971 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monA_A21x12.xyz' 2025-08-31T10:10:26,972 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monB_A21x12.xyz' 2025-08-31T10:10:26,973 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p1_dim_A21x12.xyz' 2025-08-31T10:10:26,974 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p2_dim_A21x12.xyz' 2025-08-31T10:10:26,975 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p3_dim_A21x12.xyz' 2025-08-31T10:10:26,977 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p4_dim_A21x12.xyz' 2025-08-31T10:10:26,978 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p5_dim_A21x12.xyz' 2025-08-31T10:10:26,979 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p6_dim_A21x12.xyz' 2025-08-31T10:10:26,980 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p7_dim_A21x12.xyz' 2025-08-31T10:10:26,981 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p8_dim_A21x12.xyz' 2025-08-31T10:10:26,982 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p9_dim_A21x12.xyz' 2025-08-31T10:10:26,984 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_2p0_dim_A21x12.xyz' 2025-08-31T10:10:26,985 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_0p9_dim_A21x12.xyz' 2025-08-31T10:10:26,986 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_dim_A21x12.xyz' 2025-08-31T10:10:26,987 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monA_A21x12.xyz' 2025-08-31T10:10:26,988 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monB_A21x12.xyz' 2025-08-31T10:10:26,989 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p1_dim_A21x12.xyz' 2025-08-31T10:10:26,990 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p2_dim_A21x12.xyz' 2025-08-31T10:10:26,991 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p3_dim_A21x12.xyz' 2025-08-31T10:10:26,992 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p4_dim_A21x12.xyz' 2025-08-31T10:10:26,994 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p5_dim_A21x12.xyz' 2025-08-31T10:10:26,995 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p6_dim_A21x12.xyz' 2025-08-31T10:10:26,996 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p7_dim_A21x12.xyz' 2025-08-31T10:10:26,997 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p8_dim_A21x12.xyz' 2025-08-31T10:10:26,998 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p9_dim_A21x12.xyz' 2025-08-31T10:10:26,999 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_2p0_dim_A21x12.xyz' 2025-08-31T10:10:27,000 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_0p9_dim_A21x12.xyz' 2025-08-31T10:10:27,001 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_dim_A21x12.xyz' 2025-08-31T10:10:27,003 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monA_A21x12.xyz' 2025-08-31T10:10:27,004 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monB_A21x12.xyz' 2025-08-31T10:10:27,005 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p1_dim_A21x12.xyz' 2025-08-31T10:10:27,006 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p2_dim_A21x12.xyz' 2025-08-31T10:10:27,007 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p3_dim_A21x12.xyz' 2025-08-31T10:10:27,009 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p4_dim_A21x12.xyz' 2025-08-31T10:10:27,010 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p5_dim_A21x12.xyz' 2025-08-31T10:10:27,011 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p6_dim_A21x12.xyz' 2025-08-31T10:10:27,012 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p7_dim_A21x12.xyz' 2025-08-31T10:10:27,013 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p8_dim_A21x12.xyz' 2025-08-31T10:10:27,015 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p9_dim_A21x12.xyz' 2025-08-31T10:10:27,016 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_2p0_dim_A21x12.xyz' 2025-08-31T10:10:27,017 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_0p9_dim_A21x12.xyz' 2025-08-31T10:10:27,018 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_dim_A21x12.xyz' 2025-08-31T10:10:27,019 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monA_A21x12.xyz' 2025-08-31T10:10:27,020 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monB_A21x12.xyz' 2025-08-31T10:10:27,021 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p1_dim_A21x12.xyz' 2025-08-31T10:10:27,023 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p2_dim_A21x12.xyz' 2025-08-31T10:10:27,024 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p3_dim_A21x12.xyz' 2025-08-31T10:10:27,025 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p4_dim_A21x12.xyz' 2025-08-31T10:10:27,026 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p5_dim_A21x12.xyz' 2025-08-31T10:10:27,027 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p6_dim_A21x12.xyz' 2025-08-31T10:10:27,028 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p7_dim_A21x12.xyz' 2025-08-31T10:10:27,029 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p8_dim_A21x12.xyz' 2025-08-31T10:10:27,030 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p9_dim_A21x12.xyz' 2025-08-31T10:10:27,031 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_2p0_dim_A21x12.xyz' 2025-08-31T10:10:27,033 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_0p9_dim_A21x12.xyz' 2025-08-31T10:10:27,034 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_dim_A21x12.xyz' 2025-08-31T10:10:27,035 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monA_A21x12.xyz' 2025-08-31T10:10:27,036 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monB_A21x12.xyz' 2025-08-31T10:10:27,037 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p1_dim_A21x12.xyz' 2025-08-31T10:10:27,038 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p2_dim_A21x12.xyz' 2025-08-31T10:10:27,039 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p3_dim_A21x12.xyz' 2025-08-31T10:10:27,040 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p4_dim_A21x12.xyz' 2025-08-31T10:10:27,041 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p5_dim_A21x12.xyz' 2025-08-31T10:10:27,042 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p6_dim_A21x12.xyz' 2025-08-31T10:10:27,044 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p7_dim_A21x12.xyz' 2025-08-31T10:10:27,045 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p8_dim_A21x12.xyz' 2025-08-31T10:10:27,046 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p9_dim_A21x12.xyz' 2025-08-31T10:10:27,047 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_2p0_dim_A21x12.xyz' 2025-08-31T10:10:27,048 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_0p9_dim_A21x12.xyz' 2025-08-31T10:10:27,049 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_dim_A21x12.xyz' 2025-08-31T10:10:27,050 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monA_A21x12.xyz' 2025-08-31T10:10:27,051 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monB_A21x12.xyz' 2025-08-31T10:10:27,052 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p1_dim_A21x12.xyz' 2025-08-31T10:10:27,054 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p2_dim_A21x12.xyz' 2025-08-31T10:10:27,055 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p3_dim_A21x12.xyz' 2025-08-31T10:10:27,056 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p4_dim_A21x12.xyz' 2025-08-31T10:10:27,057 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p5_dim_A21x12.xyz' 2025-08-31T10:10:27,058 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p6_dim_A21x12.xyz' 2025-08-31T10:10:27,059 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p7_dim_A21x12.xyz' 2025-08-31T10:10:27,060 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p8_dim_A21x12.xyz' 2025-08-31T10:10:27,062 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p9_dim_A21x12.xyz' 2025-08-31T10:10:27,063 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_2p0_dim_A21x12.xyz' 2025-08-31T10:10:27,066 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz' 2025-08-31T10:10:27,067 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz' 2025-08-31T10:10:27,068 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz' 2025-08-31T10:10:27,069 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz' 2025-08-31T10:10:27,070 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz' 2025-08-31T10:10:27,071 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz' 2025-08-31T10:10:27,072 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz' 2025-08-31T10:10:27,074 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz' 2025-08-31T10:10:27,075 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz' 2025-08-31T10:10:27,076 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz' 2025-08-31T10:10:27,077 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz' 2025-08-31T10:10:27,078 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz' 2025-08-31T10:10:27,079 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz' 2025-08-31T10:10:27,080 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz' 2025-08-31T10:10:27,081 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz' 2025-08-31T10:10:27,082 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz' 2025-08-31T10:10:27,083 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz' 2025-08-31T10:10:27,084 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz' 2025-08-31T10:10:27,086 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz' 2025-08-31T10:10:27,087 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz' 2025-08-31T10:10:27,088 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz' 2025-08-31T10:10:27,089 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz' 2025-08-31T10:10:27,090 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz' 2025-08-31T10:10:27,091 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz' 2025-08-31T10:10:27,092 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz' 2025-08-31T10:10:27,093 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz' 2025-08-31T10:10:27,094 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz' 2025-08-31T10:10:27,096 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz' 2025-08-31T10:10:27,097 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz' 2025-08-31T10:10:27,098 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz' 2025-08-31T10:10:27,099 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz' 2025-08-31T10:10:27,100 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz' 2025-08-31T10:10:27,101 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz' 2025-08-31T10:10:27,103 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz' 2025-08-31T10:10:27,104 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz' 2025-08-31T10:10:27,105 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz' 2025-08-31T10:10:27,106 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz' 2025-08-31T10:10:27,107 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz' 2025-08-31T10:10:27,108 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz' 2025-08-31T10:10:27,110 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz' 2025-08-31T10:10:27,111 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz' 2025-08-31T10:10:27,112 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz' 2025-08-31T10:10:27,113 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz' 2025-08-31T10:10:27,114 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz' 2025-08-31T10:10:27,115 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz' 2025-08-31T10:10:27,116 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz' 2025-08-31T10:10:27,117 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz' 2025-08-31T10:10:27,118 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz' 2025-08-31T10:10:27,119 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz' 2025-08-31T10:10:27,120 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz' 2025-08-31T10:10:27,121 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz' 2025-08-31T10:10:27,123 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz' 2025-08-31T10:10:27,124 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz' 2025-08-31T10:10:27,125 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz' 2025-08-31T10:10:27,126 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz' 2025-08-31T10:10:27,127 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz' 2025-08-31T10:10:27,128 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz' 2025-08-31T10:10:27,129 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz' 2025-08-31T10:10:27,130 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz' 2025-08-31T10:10:27,131 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz' 2025-08-31T10:10:27,132 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz' 2025-08-31T10:10:27,134 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz' 2025-08-31T10:10:27,135 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz' 2025-08-31T10:10:27,136 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz' 2025-08-31T10:10:27,137 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz' 2025-08-31T10:10:27,138 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz' 2025-08-31T10:10:27,139 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz' 2025-08-31T10:10:27,140 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz' 2025-08-31T10:10:27,141 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz' 2025-08-31T10:10:27,142 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz' 2025-08-31T10:10:27,144 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz' 2025-08-31T10:10:27,145 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz' 2025-08-31T10:10:27,146 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz' 2025-08-31T10:10:27,148 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz' 2025-08-31T10:10:27,149 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz' 2025-08-31T10:10:27,150 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/14_H_g+t+g-_ACONF.xyz' 2025-08-31T10:10:27,151 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz' 2025-08-31T10:10:27,152 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz' 2025-08-31T10:10:27,154 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/17_H_g+x-g-_ACONF.xyz' 2025-08-31T10:10:27,155 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/18_H_g+x-t+_ACONF.xyz' 2025-08-31T10:10:27,156 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz' 2025-08-31T10:10:27,157 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz' 2025-08-31T10:10:27,158 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/21_H_t+g+x-_ACONF.xyz' 2025-08-31T10:10:27,159 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz' 2025-08-31T10:10:27,161 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/23_H_x+g-g-_ACONF.xyz' 2025-08-31T10:10:27,162 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/24_H_x+g-x+_ACONF.xyz' 2025-08-31T10:10:27,163 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz' 2025-08-31T10:10:27,164 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz' 2025-08-31T10:10:27,165 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz' 2025-08-31T10:10:27,166 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz' 2025-08-31T10:10:27,168 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz' 2025-08-31T10:10:27,169 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz' 2025-08-31T10:10:27,170 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz' 2025-08-31T10:10:27,171 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz' 2025-08-31T10:10:27,172 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz' 2025-08-31T10:10:27,173 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz' 2025-08-31T10:10:27,174 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz' 2025-08-31T10:10:27,175 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz' 2025-08-31T10:10:27,176 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz' 2025-08-31T10:10:27,177 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz' 2025-08-31T10:10:27,178 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz' 2025-08-31T10:10:27,179 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz' 2025-08-31T10:10:27,180 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz' 2025-08-31T10:10:27,181 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz' 2025-08-31T10:10:27,182 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz' 2025-08-31T10:10:27,183 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz' 2025-08-31T10:10:27,185 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz' 2025-08-31T10:10:27,186 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz' 2025-08-31T10:10:27,187 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz' 2025-08-31T10:10:27,189 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz' 2025-08-31T10:10:27,190 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz' 2025-08-31T10:10:27,191 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz' 2025-08-31T10:10:27,192 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz' 2025-08-31T10:10:27,193 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz' 2025-08-31T10:10:27,194 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz' 2025-08-31T10:10:27,196 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz' 2025-08-31T10:10:27,197 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz' 2025-08-31T10:10:27,198 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz' 2025-08-31T10:10:27,199 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz' 2025-08-31T10:10:27,200 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz' 2025-08-31T10:10:27,202 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz' 2025-08-31T10:10:27,203 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz' 2025-08-31T10:10:27,204 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz' 2025-08-31T10:10:27,205 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz' 2025-08-31T10:10:27,207 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz' 2025-08-31T10:10:27,208 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz' 2025-08-31T10:10:27,209 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz' 2025-08-31T10:10:27,210 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz' 2025-08-31T10:10:27,211 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz' 2025-08-31T10:10:27,214 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz' 2025-08-31T10:10:27,215 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz' 2025-08-31T10:10:27,216 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz' 2025-08-31T10:10:27,217 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz' 2025-08-31T10:10:27,218 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz' 2025-08-31T10:10:27,219 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz' 2025-08-31T10:10:27,220 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz' 2025-08-31T10:10:27,221 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz' 2025-08-31T10:10:27,223 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz' 2025-08-31T10:10:27,224 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz' 2025-08-31T10:10:27,225 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz' 2025-08-31T10:10:27,226 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz' 2025-08-31T10:10:27,227 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz' 2025-08-31T10:10:27,229 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz' 2025-08-31T10:10:27,230 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz' 2025-08-31T10:10:27,231 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz' 2025-08-31T10:10:27,232 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz' 2025-08-31T10:10:27,233 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz' 2025-08-31T10:10:27,235 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz' 2025-08-31T10:10:27,236 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz' 2025-08-31T10:10:27,237 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz' 2025-08-31T10:10:27,238 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz' 2025-08-31T10:10:27,239 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz' 2025-08-31T10:10:27,240 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz' 2025-08-31T10:10:27,242 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_dim_AlkBind12.xyz' 2025-08-31T10:10:27,243 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monA_AlkBind12.xyz' 2025-08-31T10:10:27,244 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monB_AlkBind12.xyz' 2025-08-31T10:10:27,245 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_dim_AlkBind12.xyz' 2025-08-31T10:10:27,246 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monA_AlkBind12.xyz' 2025-08-31T10:10:27,248 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monB_AlkBind12.xyz' 2025-08-31T10:10:27,249 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_dim_AlkBind12.xyz' 2025-08-31T10:10:27,250 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monA_AlkBind12.xyz' 2025-08-31T10:10:27,251 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monB_AlkBind12.xyz' 2025-08-31T10:10:27,252 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz' 2025-08-31T10:10:27,253 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz' 2025-08-31T10:10:27,254 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz' 2025-08-31T10:10:27,256 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz' 2025-08-31T10:10:27,257 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz' 2025-08-31T10:10:27,260 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz' 2025-08-31T10:10:27,262 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz' 2025-08-31T10:10:27,263 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz' 2025-08-31T10:10:27,264 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz' 2025-08-31T10:10:27,265 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz' 2025-08-31T10:10:27,266 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz' 2025-08-31T10:10:27,267 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz' 2025-08-31T10:10:27,268 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz' 2025-08-31T10:10:27,269 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz' 2025-08-31T10:10:27,270 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz' 2025-08-31T10:10:27,271 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz' 2025-08-31T10:10:27,273 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz' 2025-08-31T10:10:27,274 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz' 2025-08-31T10:10:27,275 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz' 2025-08-31T10:10:27,277 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz' 2025-08-31T10:10:27,278 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz' 2025-08-31T10:10:27,279 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz' 2025-08-31T10:10:27,280 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz' 2025-08-31T10:10:27,281 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz' 2025-08-31T10:10:27,282 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz' 2025-08-31T10:10:27,283 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz' 2025-08-31T10:10:27,285 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz' 2025-08-31T10:10:27,286 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz' 2025-08-31T10:10:27,287 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz' 2025-08-31T10:10:27,288 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz' 2025-08-31T10:10:27,289 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz' 2025-08-31T10:10:27,291 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz' 2025-08-31T10:10:27,292 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz' 2025-08-31T10:10:27,293 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz' 2025-08-31T10:10:27,294 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz' 2025-08-31T10:10:27,298 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz' 2025-08-31T10:10:27,299 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz' 2025-08-31T10:10:27,300 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz' 2025-08-31T10:10:27,301 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz' 2025-08-31T10:10:27,302 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz' 2025-08-31T10:10:27,303 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz' 2025-08-31T10:10:27,304 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz' 2025-08-31T10:10:27,306 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz' 2025-08-31T10:10:27,307 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz' 2025-08-31T10:10:27,308 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz' 2025-08-31T10:10:27,309 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz' 2025-08-31T10:10:27,310 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz' 2025-08-31T10:10:27,311 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz' 2025-08-31T10:10:27,312 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz' 2025-08-31T10:10:27,313 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz' 2025-08-31T10:10:27,314 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz' 2025-08-31T10:10:27,316 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz' 2025-08-31T10:10:27,316 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz' 2025-08-31T10:10:27,317 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz' 2025-08-31T10:10:27,318 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz' 2025-08-31T10:10:27,320 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz' 2025-08-31T10:10:27,321 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz' 2025-08-31T10:10:27,322 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz' 2025-08-31T10:10:27,323 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz' 2025-08-31T10:10:27,324 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz' 2025-08-31T10:10:27,325 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz' 2025-08-31T10:10:27,326 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz' 2025-08-31T10:10:27,327 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz' 2025-08-31T10:10:27,328 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz' 2025-08-31T10:10:27,329 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz' 2025-08-31T10:10:27,330 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz' 2025-08-31T10:10:27,332 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz' 2025-08-31T10:10:27,333 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz' 2025-08-31T10:10:27,334 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz' 2025-08-31T10:10:27,335 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz' 2025-08-31T10:10:27,336 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz' 2025-08-31T10:10:27,337 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz' 2025-08-31T10:10:27,338 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz' 2025-08-31T10:10:27,339 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz' 2025-08-31T10:10:27,341 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz' 2025-08-31T10:10:27,342 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz' 2025-08-31T10:10:27,343 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz' 2025-08-31T10:10:27,344 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz' 2025-08-31T10:10:27,345 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz' 2025-08-31T10:10:27,346 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz' 2025-08-31T10:10:27,347 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz' 2025-08-31T10:10:27,349 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz' 2025-08-31T10:10:27,350 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz' 2025-08-31T10:10:27,351 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz' 2025-08-31T10:10:27,352 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz' 2025-08-31T10:10:27,353 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz' 2025-08-31T10:10:27,354 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz' 2025-08-31T10:10:27,356 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz' 2025-08-31T10:10:27,357 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz' 2025-08-31T10:10:27,358 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz' 2025-08-31T10:10:27,359 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz' 2025-08-31T10:10:27,360 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz' 2025-08-31T10:10:27,361 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz' 2025-08-31T10:10:27,362 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz' 2025-08-31T10:10:27,363 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz' 2025-08-31T10:10:27,364 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz' 2025-08-31T10:10:27,365 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz' 2025-08-31T10:10:27,366 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz' 2025-08-31T10:10:27,367 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz' 2025-08-31T10:10:27,368 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz' 2025-08-31T10:10:27,369 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz' 2025-08-31T10:10:27,370 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz' 2025-08-31T10:10:27,371 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz' 2025-08-31T10:10:27,372 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz' 2025-08-31T10:10:27,373 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz' 2025-08-31T10:10:27,375 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz' 2025-08-31T10:10:27,376 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz' 2025-08-31T10:10:27,377 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz' 2025-08-31T10:10:27,378 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz' 2025-08-31T10:10:27,379 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz' 2025-08-31T10:10:27,380 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz' 2025-08-31T10:10:27,381 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz' 2025-08-31T10:10:27,382 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz' 2025-08-31T10:10:27,383 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz' 2025-08-31T10:10:27,384 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz' 2025-08-31T10:10:27,385 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz' 2025-08-31T10:10:27,387 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz' 2025-08-31T10:10:27,388 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz' 2025-08-31T10:10:27,389 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz' 2025-08-31T10:10:27,390 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz' 2025-08-31T10:10:27,391 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz' 2025-08-31T10:10:27,392 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz' 2025-08-31T10:10:27,393 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz' 2025-08-31T10:10:27,394 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz' 2025-08-31T10:10:27,396 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz' 2025-08-31T10:10:27,397 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz' 2025-08-31T10:10:27,398 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz' 2025-08-31T10:10:27,399 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz' 2025-08-31T10:10:27,400 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz' 2025-08-31T10:10:27,401 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz' 2025-08-31T10:10:27,402 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz' 2025-08-31T10:10:27,403 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz' 2025-08-31T10:10:27,406 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz' 2025-08-31T10:10:27,407 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz' 2025-08-31T10:10:27,408 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz' 2025-08-31T10:10:27,409 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz' 2025-08-31T10:10:27,410 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz' 2025-08-31T10:10:27,411 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz' 2025-08-31T10:10:27,412 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz' 2025-08-31T10:10:27,413 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz' 2025-08-31T10:10:27,415 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz' 2025-08-31T10:10:27,416 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz' 2025-08-31T10:10:27,417 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz' 2025-08-31T10:10:27,418 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz' 2025-08-31T10:10:27,419 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz' 2025-08-31T10:10:27,420 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz' 2025-08-31T10:10:27,421 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz' 2025-08-31T10:10:27,422 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz' 2025-08-31T10:10:27,423 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz' 2025-08-31T10:10:27,424 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz' 2025-08-31T10:10:27,426 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz' 2025-08-31T10:10:27,427 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz' 2025-08-31T10:10:27,428 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz' 2025-08-31T10:10:27,428 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz' 2025-08-31T10:10:27,430 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz' 2025-08-31T10:10:27,431 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz' 2025-08-31T10:10:27,432 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz' 2025-08-31T10:10:27,433 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz' 2025-08-31T10:10:27,434 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz' 2025-08-31T10:10:27,435 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz' 2025-08-31T10:10:27,436 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz' 2025-08-31T10:10:27,437 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz' 2025-08-31T10:10:27,438 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz' 2025-08-31T10:10:27,439 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz' 2025-08-31T10:10:27,440 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz' 2025-08-31T10:10:27,442 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz' 2025-08-31T10:10:27,443 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz' 2025-08-31T10:10:27,444 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz' 2025-08-31T10:10:27,445 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz' 2025-08-31T10:10:27,446 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz' 2025-08-31T10:10:27,447 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz' 2025-08-31T10:10:27,448 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz' 2025-08-31T10:10:27,449 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz' 2025-08-31T10:10:27,450 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz' 2025-08-31T10:10:27,452 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz' 2025-08-31T10:10:27,453 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz' 2025-08-31T10:10:27,454 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz' 2025-08-31T10:10:27,455 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz' 2025-08-31T10:10:27,457 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz' 2025-08-31T10:10:27,458 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz' 2025-08-31T10:10:27,460 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz' 2025-08-31T10:10:27,461 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz' 2025-08-31T10:10:27,463 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz' 2025-08-31T10:10:27,464 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz' 2025-08-31T10:10:27,465 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz' 2025-08-31T10:10:27,467 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz' 2025-08-31T10:10:27,468 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz' 2025-08-31T10:10:27,469 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz' 2025-08-31T10:10:27,470 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz' 2025-08-31T10:10:27,471 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz' 2025-08-31T10:10:27,472 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz' 2025-08-31T10:10:27,473 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz' 2025-08-31T10:10:27,474 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz' 2025-08-31T10:10:27,475 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz' 2025-08-31T10:10:27,476 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz' 2025-08-31T10:10:27,477 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz' 2025-08-31T10:10:27,478 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz' 2025-08-31T10:10:27,480 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz' 2025-08-31T10:10:27,481 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz' 2025-08-31T10:10:27,482 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz' 2025-08-31T10:10:27,483 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz' 2025-08-31T10:10:27,484 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz' 2025-08-31T10:10:27,485 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz' 2025-08-31T10:10:27,486 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz' 2025-08-31T10:10:27,487 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz' 2025-08-31T10:10:27,488 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz' 2025-08-31T10:10:27,489 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz' 2025-08-31T10:10:27,491 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz' 2025-08-31T10:10:27,492 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz' 2025-08-31T10:10:27,493 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz' 2025-08-31T10:10:27,494 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz' 2025-08-31T10:10:27,495 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz' 2025-08-31T10:10:27,496 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz' 2025-08-31T10:10:27,497 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz' 2025-08-31T10:10:27,499 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz' 2025-08-31T10:10:27,500 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz' 2025-08-31T10:10:27,501 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz' 2025-08-31T10:10:27,502 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/48_cis-1_3_5-Hexatriene_BHPERI26.xyz' 2025-08-31T10:10:27,504 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz' 2025-08-31T10:10:27,505 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz' 2025-08-31T10:10:27,506 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz' 2025-08-31T10:10:27,507 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz' 2025-08-31T10:10:27,509 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz' 2025-08-31T10:10:27,510 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz' 2025-08-31T10:10:27,511 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz' 2025-08-31T10:10:27,513 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz' 2025-08-31T10:10:27,514 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz' 2025-08-31T10:10:27,515 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz' 2025-08-31T10:10:27,516 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz' 2025-08-31T10:10:27,517 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz' 2025-08-31T10:10:27,518 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz' 2025-08-31T10:10:27,519 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz' 2025-08-31T10:10:27,521 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz' 2025-08-31T10:10:27,522 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz' 2025-08-31T10:10:27,524 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz' 2025-08-31T10:10:27,525 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz' 2025-08-31T10:10:27,526 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz' 2025-08-31T10:10:27,527 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz' 2025-08-31T10:10:27,528 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz' 2025-08-31T10:10:27,529 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz' 2025-08-31T10:10:27,531 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz' 2025-08-31T10:10:27,532 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz' 2025-08-31T10:10:27,533 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz' 2025-08-31T10:10:27,534 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz' 2025-08-31T10:10:27,535 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz' 2025-08-31T10:10:27,536 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz' 2025-08-31T10:10:27,538 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz' 2025-08-31T10:10:27,539 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz' 2025-08-31T10:10:27,540 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz' 2025-08-31T10:10:27,541 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz' 2025-08-31T10:10:27,542 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz' 2025-08-31T10:10:27,544 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz' 2025-08-31T10:10:27,545 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz' 2025-08-31T10:10:27,546 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz' 2025-08-31T10:10:27,547 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz' 2025-08-31T10:10:27,549 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz' 2025-08-31T10:10:27,550 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz' 2025-08-31T10:10:27,551 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz' 2025-08-31T10:10:27,552 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz' 2025-08-31T10:10:27,554 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz' 2025-08-31T10:10:27,555 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz' 2025-08-31T10:10:27,556 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz' 2025-08-31T10:10:27,558 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz' 2025-08-31T10:10:27,559 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz' 2025-08-31T10:10:27,560 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz' 2025-08-31T10:10:27,561 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz' 2025-08-31T10:10:27,562 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz' 2025-08-31T10:10:27,564 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz' 2025-08-31T10:10:27,565 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz' 2025-08-31T10:10:27,566 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz' 2025-08-31T10:10:27,569 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz' 2025-08-31T10:10:27,570 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz' 2025-08-31T10:10:27,571 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz' 2025-08-31T10:10:27,572 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz' 2025-08-31T10:10:27,573 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz' 2025-08-31T10:10:27,574 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz' 2025-08-31T10:10:27,575 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz' 2025-08-31T10:10:27,576 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz' 2025-08-31T10:10:27,578 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz' 2025-08-31T10:10:27,579 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz' 2025-08-31T10:10:27,580 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz' 2025-08-31T10:10:27,581 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz' 2025-08-31T10:10:27,582 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz' 2025-08-31T10:10:27,583 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz' 2025-08-31T10:10:27,584 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz' 2025-08-31T10:10:27,586 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz' 2025-08-31T10:10:27,587 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz' 2025-08-31T10:10:27,588 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz' 2025-08-31T10:10:27,589 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz' 2025-08-31T10:10:27,590 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz' 2025-08-31T10:10:27,591 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz' 2025-08-31T10:10:27,592 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz' 2025-08-31T10:10:27,593 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz' 2025-08-31T10:10:27,595 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz' 2025-08-31T10:10:27,596 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz' 2025-08-31T10:10:27,597 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz' 2025-08-31T10:10:27,598 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz' 2025-08-31T10:10:27,599 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz' 2025-08-31T10:10:27,600 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz' 2025-08-31T10:10:27,601 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz' 2025-08-31T10:10:27,603 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz' 2025-08-31T10:10:27,604 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz' 2025-08-31T10:10:27,605 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz' 2025-08-31T10:10:27,606 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz' 2025-08-31T10:10:27,607 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz' 2025-08-31T10:10:27,609 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz' 2025-08-31T10:10:27,610 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_dim_Bauza30.xyz' 2025-08-31T10:10:27,611 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monA_Bauza30.xyz' 2025-08-31T10:10:27,612 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monB_Bauza30.xyz' 2025-08-31T10:10:27,613 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_dim_Bauza30.xyz' 2025-08-31T10:10:27,614 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monA_Bauza30.xyz' 2025-08-31T10:10:27,615 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monB_Bauza30.xyz' 2025-08-31T10:10:27,616 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_dim_Bauza30.xyz' 2025-08-31T10:10:27,617 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monA_Bauza30.xyz' 2025-08-31T10:10:27,618 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monB_Bauza30.xyz' 2025-08-31T10:10:27,619 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_dim_Bauza30.xyz' 2025-08-31T10:10:27,620 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monA_Bauza30.xyz' 2025-08-31T10:10:27,621 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monB_Bauza30.xyz' 2025-08-31T10:10:27,622 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_dim_Bauza30.xyz' 2025-08-31T10:10:27,624 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monA_Bauza30.xyz' 2025-08-31T10:10:27,625 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monB_Bauza30.xyz' 2025-08-31T10:10:27,626 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_dim_Bauza30.xyz' 2025-08-31T10:10:27,627 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monA_Bauza30.xyz' 2025-08-31T10:10:27,628 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monB_Bauza30.xyz' 2025-08-31T10:10:27,629 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_dim_Bauza30.xyz' 2025-08-31T10:10:27,630 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monA_Bauza30.xyz' 2025-08-31T10:10:27,631 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monB_Bauza30.xyz' 2025-08-31T10:10:27,632 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_dim_Bauza30.xyz' 2025-08-31T10:10:27,634 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monA_Bauza30.xyz' 2025-08-31T10:10:27,635 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monB_Bauza30.xyz' 2025-08-31T10:10:27,636 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_dim_Bauza30.xyz' 2025-08-31T10:10:27,637 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monA_Bauza30.xyz' 2025-08-31T10:10:27,638 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monB_Bauza30.xyz' 2025-08-31T10:10:27,639 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_dim_Bauza30.xyz' 2025-08-31T10:10:27,641 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monA_Bauza30.xyz' 2025-08-31T10:10:27,642 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monB_Bauza30.xyz' 2025-08-31T10:10:27,643 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_dim_Bauza30.xyz' 2025-08-31T10:10:27,644 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monA_Bauza30.xyz' 2025-08-31T10:10:27,645 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monB_Bauza30.xyz' 2025-08-31T10:10:27,646 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_dim_Bauza30.xyz' 2025-08-31T10:10:27,648 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monA_Bauza30.xyz' 2025-08-31T10:10:27,649 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monB_Bauza30.xyz' 2025-08-31T10:10:27,650 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz' 2025-08-31T10:10:27,651 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz' 2025-08-31T10:10:27,652 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz' 2025-08-31T10:10:27,653 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz' 2025-08-31T10:10:27,654 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz' 2025-08-31T10:10:27,656 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz' 2025-08-31T10:10:27,657 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz' 2025-08-31T10:10:27,658 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz' 2025-08-31T10:10:27,658 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz' 2025-08-31T10:10:27,660 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz' 2025-08-31T10:10:27,661 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz' 2025-08-31T10:10:27,662 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz' 2025-08-31T10:10:27,663 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz' 2025-08-31T10:10:27,664 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz' 2025-08-31T10:10:27,665 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz' 2025-08-31T10:10:27,666 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz' 2025-08-31T10:10:27,667 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz' 2025-08-31T10:10:27,668 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz' 2025-08-31T10:10:27,671 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz' 2025-08-31T10:10:27,672 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz' 2025-08-31T10:10:27,673 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz' 2025-08-31T10:10:27,674 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz' 2025-08-31T10:10:27,676 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz' 2025-08-31T10:10:27,678 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz' 2025-08-31T10:10:27,679 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz' 2025-08-31T10:10:27,680 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz' 2025-08-31T10:10:27,681 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz' 2025-08-31T10:10:27,682 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz' 2025-08-31T10:10:27,684 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz' 2025-08-31T10:10:27,685 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz' 2025-08-31T10:10:27,686 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz' 2025-08-31T10:10:27,687 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz' 2025-08-31T10:10:27,688 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz' 2025-08-31T10:10:27,690 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz' 2025-08-31T10:10:27,691 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz' 2025-08-31T10:10:27,692 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz' 2025-08-31T10:10:27,693 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz' 2025-08-31T10:10:27,695 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz' 2025-08-31T10:10:27,696 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz' 2025-08-31T10:10:27,697 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz' 2025-08-31T10:10:27,698 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz' 2025-08-31T10:10:27,699 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz' 2025-08-31T10:10:27,701 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz' 2025-08-31T10:10:27,702 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz' 2025-08-31T10:10:27,703 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz' 2025-08-31T10:10:27,704 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz' 2025-08-31T10:10:27,705 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz' 2025-08-31T10:10:27,706 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz' 2025-08-31T10:10:27,708 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz' 2025-08-31T10:10:27,709 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz' 2025-08-31T10:10:27,710 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz' 2025-08-31T10:10:27,711 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz' 2025-08-31T10:10:27,712 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz' 2025-08-31T10:10:27,714 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz' 2025-08-31T10:10:27,715 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz' 2025-08-31T10:10:27,716 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz' 2025-08-31T10:10:27,717 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz' 2025-08-31T10:10:27,718 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz' 2025-08-31T10:10:27,719 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz' 2025-08-31T10:10:27,720 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz' 2025-08-31T10:10:27,722 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz' 2025-08-31T10:10:27,723 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz' 2025-08-31T10:10:27,724 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz' 2025-08-31T10:10:27,726 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz' 2025-08-31T10:10:27,727 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz' 2025-08-31T10:10:27,728 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz' 2025-08-31T10:10:27,729 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz' 2025-08-31T10:10:27,731 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz' 2025-08-31T10:10:27,732 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz' 2025-08-31T10:10:27,733 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz' 2025-08-31T10:10:27,734 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz' 2025-08-31T10:10:27,736 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz' 2025-08-31T10:10:27,737 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz' 2025-08-31T10:10:27,738 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz' 2025-08-31T10:10:27,739 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz' 2025-08-31T10:10:27,740 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz' 2025-08-31T10:10:27,742 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz' 2025-08-31T10:10:27,743 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz' 2025-08-31T10:10:27,744 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz' 2025-08-31T10:10:27,745 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz' 2025-08-31T10:10:27,747 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz' 2025-08-31T10:10:27,748 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz' 2025-08-31T10:10:27,749 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz' 2025-08-31T10:10:27,755 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz' 2025-08-31T10:10:27,756 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz' 2025-08-31T10:10:27,757 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz' 2025-08-31T10:10:27,758 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz' 2025-08-31T10:10:27,760 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz' 2025-08-31T10:10:27,761 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz' 2025-08-31T10:10:27,762 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz' 2025-08-31T10:10:27,763 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz' 2025-08-31T10:10:27,764 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz' 2025-08-31T10:10:27,766 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz' 2025-08-31T10:10:27,767 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz' 2025-08-31T10:10:27,768 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz' 2025-08-31T10:10:27,769 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz' 2025-08-31T10:10:27,770 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz' 2025-08-31T10:10:27,771 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz' 2025-08-31T10:10:27,773 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz' 2025-08-31T10:10:27,774 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz' 2025-08-31T10:10:27,775 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz' 2025-08-31T10:10:27,776 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz' 2025-08-31T10:10:27,777 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz' 2025-08-31T10:10:27,778 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz' 2025-08-31T10:10:27,780 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz' 2025-08-31T10:10:27,781 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz' 2025-08-31T10:10:27,782 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz' 2025-08-31T10:10:27,783 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz' 2025-08-31T10:10:27,784 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz' 2025-08-31T10:10:27,785 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz' 2025-08-31T10:10:27,787 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz' 2025-08-31T10:10:27,788 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz' 2025-08-31T10:10:27,789 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz' 2025-08-31T10:10:27,790 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz' 2025-08-31T10:10:27,791 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz' 2025-08-31T10:10:27,793 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz' 2025-08-31T10:10:27,794 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz' 2025-08-31T10:10:27,795 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz' 2025-08-31T10:10:27,796 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz' 2025-08-31T10:10:27,797 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz' 2025-08-31T10:10:27,799 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz' 2025-08-31T10:10:27,800 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz' 2025-08-31T10:10:27,801 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz' 2025-08-31T10:10:27,802 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz' 2025-08-31T10:10:27,804 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz' 2025-08-31T10:10:27,805 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz' 2025-08-31T10:10:27,806 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz' 2025-08-31T10:10:27,807 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz' 2025-08-31T10:10:27,808 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz' 2025-08-31T10:10:27,809 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz' 2025-08-31T10:10:27,811 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz' 2025-08-31T10:10:27,812 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz' 2025-08-31T10:10:27,814 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz' 2025-08-31T10:10:27,815 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz' 2025-08-31T10:10:27,816 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz' 2025-08-31T10:10:27,817 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz' 2025-08-31T10:10:27,818 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz' 2025-08-31T10:10:27,819 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz' 2025-08-31T10:10:27,820 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz' 2025-08-31T10:10:27,821 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz' 2025-08-31T10:10:27,823 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz' 2025-08-31T10:10:27,824 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz' 2025-08-31T10:10:27,825 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz' 2025-08-31T10:10:27,826 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz' 2025-08-31T10:10:27,828 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz' 2025-08-31T10:10:27,829 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz' 2025-08-31T10:10:27,830 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz' 2025-08-31T10:10:27,831 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz' 2025-08-31T10:10:27,832 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz' 2025-08-31T10:10:27,834 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz' 2025-08-31T10:10:27,835 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz' 2025-08-31T10:10:27,836 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz' 2025-08-31T10:10:27,837 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz' 2025-08-31T10:10:27,839 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz' 2025-08-31T10:10:27,840 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz' 2025-08-31T10:10:27,841 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz' 2025-08-31T10:10:27,842 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz' 2025-08-31T10:10:27,844 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz' 2025-08-31T10:10:27,845 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz' 2025-08-31T10:10:27,846 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz' 2025-08-31T10:10:27,847 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz' 2025-08-31T10:10:27,848 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz' 2025-08-31T10:10:27,849 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz' 2025-08-31T10:10:27,850 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz' 2025-08-31T10:10:27,851 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz' 2025-08-31T10:10:27,852 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz' 2025-08-31T10:10:27,853 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz' 2025-08-31T10:10:27,855 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz' 2025-08-31T10:10:27,856 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz' 2025-08-31T10:10:27,857 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz' 2025-08-31T10:10:27,858 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz' 2025-08-31T10:10:27,859 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz' 2025-08-31T10:10:27,860 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz' 2025-08-31T10:10:27,861 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz' 2025-08-31T10:10:27,862 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz' 2025-08-31T10:10:27,863 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz' 2025-08-31T10:10:27,865 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz' 2025-08-31T10:10:27,866 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz' 2025-08-31T10:10:27,867 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz' 2025-08-31T10:10:27,868 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz' 2025-08-31T10:10:27,869 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz' 2025-08-31T10:10:27,870 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz' 2025-08-31T10:10:27,871 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz' 2025-08-31T10:10:27,873 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz' 2025-08-31T10:10:27,874 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz' 2025-08-31T10:10:27,875 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz' 2025-08-31T10:10:27,876 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz' 2025-08-31T10:10:27,877 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz' 2025-08-31T10:10:27,879 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz' 2025-08-31T10:10:27,880 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz' 2025-08-31T10:10:27,881 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz' 2025-08-31T10:10:27,882 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz' 2025-08-31T10:10:27,883 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz' 2025-08-31T10:10:27,884 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz' 2025-08-31T10:10:27,886 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz' 2025-08-31T10:10:27,887 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz' 2025-08-31T10:10:27,888 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz' 2025-08-31T10:10:27,889 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz' 2025-08-31T10:10:27,890 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz' 2025-08-31T10:10:27,891 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz' 2025-08-31T10:10:27,892 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz' 2025-08-31T10:10:27,893 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz' 2025-08-31T10:10:27,895 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz' 2025-08-31T10:10:27,896 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz' 2025-08-31T10:10:27,897 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz' 2025-08-31T10:10:27,898 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz' 2025-08-31T10:10:27,899 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz' 2025-08-31T10:10:27,900 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz' 2025-08-31T10:10:27,901 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz' 2025-08-31T10:10:27,902 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz' 2025-08-31T10:10:27,903 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz' 2025-08-31T10:10:27,905 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz' 2025-08-31T10:10:27,906 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz' 2025-08-31T10:10:27,907 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz' 2025-08-31T10:10:27,908 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz' 2025-08-31T10:10:27,909 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz' 2025-08-31T10:10:27,910 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz' 2025-08-31T10:10:27,911 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz' 2025-08-31T10:10:27,913 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz' 2025-08-31T10:10:27,914 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz' 2025-08-31T10:10:27,915 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz' 2025-08-31T10:10:27,916 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz' 2025-08-31T10:10:27,917 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz' 2025-08-31T10:10:27,918 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz' 2025-08-31T10:10:27,920 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz' 2025-08-31T10:10:27,921 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz' 2025-08-31T10:10:27,922 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz' 2025-08-31T10:10:27,923 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz' 2025-08-31T10:10:27,924 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz' 2025-08-31T10:10:27,925 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz' 2025-08-31T10:10:27,926 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz' 2025-08-31T10:10:27,928 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz' 2025-08-31T10:10:27,929 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz' 2025-08-31T10:10:27,930 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz' 2025-08-31T10:10:27,931 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz' 2025-08-31T10:10:27,932 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz' 2025-08-31T10:10:27,933 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz' 2025-08-31T10:10:27,935 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz' 2025-08-31T10:10:27,936 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz' 2025-08-31T10:10:27,937 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz' 2025-08-31T10:10:27,938 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz' 2025-08-31T10:10:27,939 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz' 2025-08-31T10:10:27,940 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz' 2025-08-31T10:10:27,941 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz' 2025-08-31T10:10:27,942 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz' 2025-08-31T10:10:27,943 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz' 2025-08-31T10:10:27,944 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz' 2025-08-31T10:10:27,946 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz' 2025-08-31T10:10:27,947 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz' 2025-08-31T10:10:27,948 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz' 2025-08-31T10:10:27,949 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz' 2025-08-31T10:10:27,950 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz' 2025-08-31T10:10:27,951 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz' 2025-08-31T10:10:27,952 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz' 2025-08-31T10:10:27,953 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz' 2025-08-31T10:10:27,955 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz' 2025-08-31T10:10:27,956 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz' 2025-08-31T10:10:27,957 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz' 2025-08-31T10:10:27,958 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz' 2025-08-31T10:10:27,959 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz' 2025-08-31T10:10:27,960 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz' 2025-08-31T10:10:27,962 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz' 2025-08-31T10:10:27,963 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz' 2025-08-31T10:10:27,964 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz' 2025-08-31T10:10:27,965 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz' 2025-08-31T10:10:27,966 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz' 2025-08-31T10:10:27,968 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz' 2025-08-31T10:10:27,969 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz' 2025-08-31T10:10:27,970 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz' 2025-08-31T10:10:27,971 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz' 2025-08-31T10:10:27,973 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz' 2025-08-31T10:10:27,974 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz' 2025-08-31T10:10:27,975 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz' 2025-08-31T10:10:27,977 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz' 2025-08-31T10:10:27,978 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz' 2025-08-31T10:10:27,979 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz' 2025-08-31T10:10:27,980 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz' 2025-08-31T10:10:27,981 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz' 2025-08-31T10:10:27,982 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz' 2025-08-31T10:10:27,983 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz' 2025-08-31T10:10:27,984 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz' 2025-08-31T10:10:27,985 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz' 2025-08-31T10:10:27,987 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz' 2025-08-31T10:10:27,988 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz' 2025-08-31T10:10:27,989 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz' 2025-08-31T10:10:27,990 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz' 2025-08-31T10:10:27,991 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz' 2025-08-31T10:10:27,992 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz' 2025-08-31T10:10:27,993 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz' 2025-08-31T10:10:27,994 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz' 2025-08-31T10:10:27,995 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz' 2025-08-31T10:10:27,996 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz' 2025-08-31T10:10:27,998 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz' 2025-08-31T10:10:27,999 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz' 2025-08-31T10:10:28,000 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz' 2025-08-31T10:10:28,001 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz' 2025-08-31T10:10:28,002 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz' 2025-08-31T10:10:28,003 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz' 2025-08-31T10:10:28,004 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz' 2025-08-31T10:10:28,006 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz' 2025-08-31T10:10:28,007 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz' 2025-08-31T10:10:28,008 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz' 2025-08-31T10:10:28,009 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz' 2025-08-31T10:10:28,010 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz' 2025-08-31T10:10:28,011 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz' 2025-08-31T10:10:28,013 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz' 2025-08-31T10:10:28,014 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz' 2025-08-31T10:10:28,015 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz' 2025-08-31T10:10:28,016 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz' 2025-08-31T10:10:28,017 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz' 2025-08-31T10:10:28,018 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz' 2025-08-31T10:10:28,020 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz' 2025-08-31T10:10:28,021 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz' 2025-08-31T10:10:28,022 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz' 2025-08-31T10:10:28,023 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz' 2025-08-31T10:10:28,024 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz' 2025-08-31T10:10:28,025 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz' 2025-08-31T10:10:28,026 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz' 2025-08-31T10:10:28,028 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz' 2025-08-31T10:10:28,029 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz' 2025-08-31T10:10:28,030 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz' 2025-08-31T10:10:28,031 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz' 2025-08-31T10:10:28,033 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz' 2025-08-31T10:10:28,034 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz' 2025-08-31T10:10:28,035 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz' 2025-08-31T10:10:28,036 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz' 2025-08-31T10:10:28,037 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz' 2025-08-31T10:10:28,038 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz' 2025-08-31T10:10:28,040 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz' 2025-08-31T10:10:28,041 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz' 2025-08-31T10:10:28,042 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz' 2025-08-31T10:10:28,043 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz' 2025-08-31T10:10:28,044 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz' 2025-08-31T10:10:28,045 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz' 2025-08-31T10:10:28,047 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz' 2025-08-31T10:10:28,048 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz' 2025-08-31T10:10:28,049 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz' 2025-08-31T10:10:28,050 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz' 2025-08-31T10:10:28,051 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz' 2025-08-31T10:10:28,052 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz' 2025-08-31T10:10:28,053 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz' 2025-08-31T10:10:28,056 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_dim_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,057 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monA_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,058 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monB_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,059 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_dim_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,061 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monA_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,062 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monB_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,063 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_dim_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,064 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monA_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,065 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monB_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,066 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_dim_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,068 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monA_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,069 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monB_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,070 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_dim_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,071 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monA_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,072 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monB_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,073 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_dim_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,075 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monA_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,076 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monB_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,077 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_dim_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,078 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monA_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,079 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monB_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,080 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_dim_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,081 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monA_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,082 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monB_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,084 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_dim_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,085 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monA_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,086 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monB_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,087 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_dim_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,088 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monA_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,089 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monB_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,090 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_dim_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,092 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monA_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,093 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monB_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,094 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_dim_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,095 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monA_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,096 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monB_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,097 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_dim_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,099 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monA_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,100 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monB_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,101 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_dim_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,102 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monA_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,103 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monB_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,104 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_dim_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,106 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monA_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,107 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monB_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,108 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_dim_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,109 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monA_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,110 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monB_CO2Nitrogen16.xyz' 2025-08-31T10:10:28,112 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz' 2025-08-31T10:10:28,114 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz' 2025-08-31T10:10:28,115 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz' 2025-08-31T10:10:28,116 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz' 2025-08-31T10:10:28,117 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz' 2025-08-31T10:10:28,118 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz' 2025-08-31T10:10:28,119 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz' 2025-08-31T10:10:28,120 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz' 2025-08-31T10:10:28,121 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz' 2025-08-31T10:10:28,122 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz' 2025-08-31T10:10:28,123 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz' 2025-08-31T10:10:28,124 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz' 2025-08-31T10:10:28,126 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz' 2025-08-31T10:10:28,127 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz' 2025-08-31T10:10:28,128 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz' 2025-08-31T10:10:28,129 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz' 2025-08-31T10:10:28,130 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz' 2025-08-31T10:10:28,131 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz' 2025-08-31T10:10:28,132 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz' 2025-08-31T10:10:28,134 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz' 2025-08-31T10:10:28,135 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz' 2025-08-31T10:10:28,136 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz' 2025-08-31T10:10:28,137 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz' 2025-08-31T10:10:28,138 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz' 2025-08-31T10:10:28,140 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz' 2025-08-31T10:10:28,141 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz' 2025-08-31T10:10:28,142 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz' 2025-08-31T10:10:28,143 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz' 2025-08-31T10:10:28,144 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz' 2025-08-31T10:10:28,145 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz' 2025-08-31T10:10:28,147 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz' 2025-08-31T10:10:28,148 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz' 2025-08-31T10:10:28,149 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz' 2025-08-31T10:10:28,150 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz' 2025-08-31T10:10:28,151 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz' 2025-08-31T10:10:28,152 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz' 2025-08-31T10:10:28,153 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz' 2025-08-31T10:10:28,155 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz' 2025-08-31T10:10:28,156 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz' 2025-08-31T10:10:28,157 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz' 2025-08-31T10:10:28,158 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz' 2025-08-31T10:10:28,159 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz' 2025-08-31T10:10:28,160 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz' 2025-08-31T10:10:28,161 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz' 2025-08-31T10:10:28,162 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz' 2025-08-31T10:10:28,163 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz' 2025-08-31T10:10:28,164 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz' 2025-08-31T10:10:28,165 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz' 2025-08-31T10:10:28,166 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz' 2025-08-31T10:10:28,167 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz' 2025-08-31T10:10:28,168 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz' 2025-08-31T10:10:28,170 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz' 2025-08-31T10:10:28,171 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz' 2025-08-31T10:10:28,172 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz' 2025-08-31T10:10:28,173 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz' 2025-08-31T10:10:28,174 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz' 2025-08-31T10:10:28,175 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz' 2025-08-31T10:10:28,176 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz' 2025-08-31T10:10:28,177 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz' 2025-08-31T10:10:28,179 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz' 2025-08-31T10:10:28,181 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz' 2025-08-31T10:10:28,182 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz' 2025-08-31T10:10:28,183 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz' 2025-08-31T10:10:28,184 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz' 2025-08-31T10:10:28,186 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz' 2025-08-31T10:10:28,187 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz' 2025-08-31T10:10:28,188 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz' 2025-08-31T10:10:28,189 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz' 2025-08-31T10:10:28,190 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz' 2025-08-31T10:10:28,192 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz' 2025-08-31T10:10:28,193 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz' 2025-08-31T10:10:28,194 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz' 2025-08-31T10:10:28,195 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz' 2025-08-31T10:10:28,197 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz' 2025-08-31T10:10:28,198 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz' 2025-08-31T10:10:28,199 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz' 2025-08-31T10:10:28,200 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz' 2025-08-31T10:10:28,201 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz' 2025-08-31T10:10:28,203 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz' 2025-08-31T10:10:28,204 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz' 2025-08-31T10:10:28,205 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz' 2025-08-31T10:10:28,206 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz' 2025-08-31T10:10:28,207 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz' 2025-08-31T10:10:28,209 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz' 2025-08-31T10:10:28,210 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz' 2025-08-31T10:10:28,211 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz' 2025-08-31T10:10:28,212 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz' 2025-08-31T10:10:28,213 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz' 2025-08-31T10:10:28,215 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz' 2025-08-31T10:10:28,216 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz' 2025-08-31T10:10:28,217 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz' 2025-08-31T10:10:28,218 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz' 2025-08-31T10:10:28,219 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz' 2025-08-31T10:10:28,221 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz' 2025-08-31T10:10:28,222 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz' 2025-08-31T10:10:28,223 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz' 2025-08-31T10:10:28,224 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz' 2025-08-31T10:10:28,225 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz' 2025-08-31T10:10:28,227 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz' 2025-08-31T10:10:28,228 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz' 2025-08-31T10:10:28,230 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz' 2025-08-31T10:10:28,232 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz' 2025-08-31T10:10:28,233 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz' 2025-08-31T10:10:28,234 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz' 2025-08-31T10:10:28,235 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz' 2025-08-31T10:10:28,237 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz' 2025-08-31T10:10:28,238 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz' 2025-08-31T10:10:28,239 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz' 2025-08-31T10:10:28,240 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz' 2025-08-31T10:10:28,241 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz' 2025-08-31T10:10:28,242 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz' 2025-08-31T10:10:28,243 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz' 2025-08-31T10:10:28,244 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz' 2025-08-31T10:10:28,246 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz' 2025-08-31T10:10:28,247 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz' 2025-08-31T10:10:28,248 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz' 2025-08-31T10:10:28,249 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz' 2025-08-31T10:10:28,250 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz' 2025-08-31T10:10:28,251 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz' 2025-08-31T10:10:28,252 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz' 2025-08-31T10:10:28,254 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz' 2025-08-31T10:10:28,255 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz' 2025-08-31T10:10:28,256 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz' 2025-08-31T10:10:28,257 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz' 2025-08-31T10:10:28,258 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz' 2025-08-31T10:10:28,259 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz' 2025-08-31T10:10:28,260 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz' 2025-08-31T10:10:28,262 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz' 2025-08-31T10:10:28,263 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz' 2025-08-31T10:10:28,264 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz' 2025-08-31T10:10:28,265 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz' 2025-08-31T10:10:28,266 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz' 2025-08-31T10:10:28,267 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz' 2025-08-31T10:10:28,268 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz' 2025-08-31T10:10:28,269 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz' 2025-08-31T10:10:28,271 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz' 2025-08-31T10:10:28,272 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz' 2025-08-31T10:10:28,273 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz' 2025-08-31T10:10:28,274 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz' 2025-08-31T10:10:28,275 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz' 2025-08-31T10:10:28,276 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz' 2025-08-31T10:10:28,278 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz' 2025-08-31T10:10:28,279 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz' 2025-08-31T10:10:28,280 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz' 2025-08-31T10:10:28,281 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz' 2025-08-31T10:10:28,282 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz' 2025-08-31T10:10:28,283 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz' 2025-08-31T10:10:28,285 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz' 2025-08-31T10:10:28,286 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz' 2025-08-31T10:10:28,287 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz' 2025-08-31T10:10:28,288 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz' 2025-08-31T10:10:28,289 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz' 2025-08-31T10:10:28,290 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz' 2025-08-31T10:10:28,291 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz' 2025-08-31T10:10:28,293 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz' 2025-08-31T10:10:28,294 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz' 2025-08-31T10:10:28,295 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz' 2025-08-31T10:10:28,296 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz' 2025-08-31T10:10:28,297 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz' 2025-08-31T10:10:28,298 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz' 2025-08-31T10:10:28,300 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz' 2025-08-31T10:10:28,301 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz' 2025-08-31T10:10:28,302 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz' 2025-08-31T10:10:28,304 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz' 2025-08-31T10:10:28,305 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz' 2025-08-31T10:10:28,306 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz' 2025-08-31T10:10:28,307 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz' 2025-08-31T10:10:28,308 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz' 2025-08-31T10:10:28,310 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz' 2025-08-31T10:10:28,311 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz' 2025-08-31T10:10:28,312 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz' 2025-08-31T10:10:28,314 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz' 2025-08-31T10:10:28,316 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz' 2025-08-31T10:10:28,317 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz' 2025-08-31T10:10:28,318 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz' 2025-08-31T10:10:28,319 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz' 2025-08-31T10:10:28,320 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz' 2025-08-31T10:10:28,321 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz' 2025-08-31T10:10:28,322 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz' 2025-08-31T10:10:28,323 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz' 2025-08-31T10:10:28,324 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz' 2025-08-31T10:10:28,325 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz' 2025-08-31T10:10:28,326 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz' 2025-08-31T10:10:28,327 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz' 2025-08-31T10:10:28,328 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz' 2025-08-31T10:10:28,329 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz' 2025-08-31T10:10:28,330 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz' 2025-08-31T10:10:28,332 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz' 2025-08-31T10:10:28,333 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz' 2025-08-31T10:10:28,334 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz' 2025-08-31T10:10:28,335 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz' 2025-08-31T10:10:28,336 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz' 2025-08-31T10:10:28,337 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz' 2025-08-31T10:10:28,338 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz' 2025-08-31T10:10:28,339 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz' 2025-08-31T10:10:28,341 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz' 2025-08-31T10:10:28,342 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz' 2025-08-31T10:10:28,343 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz' 2025-08-31T10:10:28,344 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz' 2025-08-31T10:10:28,345 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz' 2025-08-31T10:10:28,346 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz' 2025-08-31T10:10:28,347 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz' 2025-08-31T10:10:28,349 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz' 2025-08-31T10:10:28,350 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz' 2025-08-31T10:10:28,351 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz' 2025-08-31T10:10:28,352 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz' 2025-08-31T10:10:28,353 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz' 2025-08-31T10:10:28,354 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz' 2025-08-31T10:10:28,356 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz' 2025-08-31T10:10:28,357 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz' 2025-08-31T10:10:28,358 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz' 2025-08-31T10:10:28,359 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz' 2025-08-31T10:10:28,363 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz' 2025-08-31T10:10:28,364 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz' 2025-08-31T10:10:28,366 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz' 2025-08-31T10:10:28,367 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz' 2025-08-31T10:10:28,368 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz' 2025-08-31T10:10:28,370 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz' 2025-08-31T10:10:28,371 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz' 2025-08-31T10:10:28,372 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz' 2025-08-31T10:10:28,374 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz' 2025-08-31T10:10:28,375 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz' 2025-08-31T10:10:28,376 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz' 2025-08-31T10:10:28,377 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz' 2025-08-31T10:10:28,379 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz' 2025-08-31T10:10:28,380 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz' 2025-08-31T10:10:28,381 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz' 2025-08-31T10:10:28,382 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz' 2025-08-31T10:10:28,384 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz' 2025-08-31T10:10:28,385 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz' 2025-08-31T10:10:28,386 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz' 2025-08-31T10:10:28,387 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz' 2025-08-31T10:10:28,388 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz' 2025-08-31T10:10:28,390 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz' 2025-08-31T10:10:28,391 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz' 2025-08-31T10:10:28,392 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz' 2025-08-31T10:10:28,393 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz' 2025-08-31T10:10:28,394 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz' 2025-08-31T10:10:28,395 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz' 2025-08-31T10:10:28,397 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz' 2025-08-31T10:10:28,398 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz' 2025-08-31T10:10:28,399 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz' 2025-08-31T10:10:28,400 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz' 2025-08-31T10:10:28,401 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz' 2025-08-31T10:10:28,403 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz' 2025-08-31T10:10:28,404 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz' 2025-08-31T10:10:28,405 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz' 2025-08-31T10:10:28,406 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz' 2025-08-31T10:10:28,407 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz' 2025-08-31T10:10:28,408 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz' 2025-08-31T10:10:28,410 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz' 2025-08-31T10:10:28,411 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz' 2025-08-31T10:10:28,412 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz' 2025-08-31T10:10:28,413 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz' 2025-08-31T10:10:28,414 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz' 2025-08-31T10:10:28,416 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz' 2025-08-31T10:10:28,417 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz' 2025-08-31T10:10:28,418 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz' 2025-08-31T10:10:28,419 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz' 2025-08-31T10:10:28,421 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz' 2025-08-31T10:10:28,422 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz' 2025-08-31T10:10:28,423 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz' 2025-08-31T10:10:28,424 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz' 2025-08-31T10:10:28,426 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz' 2025-08-31T10:10:28,427 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz' 2025-08-31T10:10:28,428 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz' 2025-08-31T10:10:28,429 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz' 2025-08-31T10:10:28,430 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz' 2025-08-31T10:10:28,431 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz' 2025-08-31T10:10:28,432 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz' 2025-08-31T10:10:28,433 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz' 2025-08-31T10:10:28,434 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz' 2025-08-31T10:10:28,435 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz' 2025-08-31T10:10:28,437 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz' 2025-08-31T10:10:28,438 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz' 2025-08-31T10:10:28,439 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz' 2025-08-31T10:10:28,440 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz' 2025-08-31T10:10:28,441 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz' 2025-08-31T10:10:28,442 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz' 2025-08-31T10:10:28,444 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz' 2025-08-31T10:10:28,445 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz' 2025-08-31T10:10:28,446 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz' 2025-08-31T10:10:28,447 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz' 2025-08-31T10:10:28,448 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz' 2025-08-31T10:10:28,449 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz' 2025-08-31T10:10:28,450 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz' 2025-08-31T10:10:28,452 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz' 2025-08-31T10:10:28,453 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz' 2025-08-31T10:10:28,454 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz' 2025-08-31T10:10:28,455 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz' 2025-08-31T10:10:28,456 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz' 2025-08-31T10:10:28,458 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz' 2025-08-31T10:10:28,459 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz' 2025-08-31T10:10:28,460 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz' 2025-08-31T10:10:28,461 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz' 2025-08-31T10:10:28,463 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz' 2025-08-31T10:10:28,464 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz' 2025-08-31T10:10:28,465 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz' 2025-08-31T10:10:28,466 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz' 2025-08-31T10:10:28,467 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz' 2025-08-31T10:10:28,469 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz' 2025-08-31T10:10:28,470 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz' 2025-08-31T10:10:28,471 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz' 2025-08-31T10:10:28,472 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz' 2025-08-31T10:10:28,473 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz' 2025-08-31T10:10:28,474 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz' 2025-08-31T10:10:28,476 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz' 2025-08-31T10:10:28,477 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz' 2025-08-31T10:10:28,478 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz' 2025-08-31T10:10:28,479 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz' 2025-08-31T10:10:28,480 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz' 2025-08-31T10:10:28,481 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz' 2025-08-31T10:10:28,482 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz' 2025-08-31T10:10:28,483 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz' 2025-08-31T10:10:28,484 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz' 2025-08-31T10:10:28,486 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz' 2025-08-31T10:10:28,487 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz' 2025-08-31T10:10:28,488 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz' 2025-08-31T10:10:28,489 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz' 2025-08-31T10:10:28,490 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz' 2025-08-31T10:10:28,491 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz' 2025-08-31T10:10:28,492 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz' 2025-08-31T10:10:28,493 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz' 2025-08-31T10:10:28,495 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz' 2025-08-31T10:10:28,496 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz' 2025-08-31T10:10:28,497 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz' 2025-08-31T10:10:28,498 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz' 2025-08-31T10:10:28,499 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz' 2025-08-31T10:10:28,500 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz' 2025-08-31T10:10:28,501 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz' 2025-08-31T10:10:28,502 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz' 2025-08-31T10:10:28,504 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz' 2025-08-31T10:10:28,506 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_dim_DS14.xyz' 2025-08-31T10:10:28,507 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monA_DS14.xyz' 2025-08-31T10:10:28,508 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monB_DS14.xyz' 2025-08-31T10:10:28,509 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_dim_DS14.xyz' 2025-08-31T10:10:28,510 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monA_DS14.xyz' 2025-08-31T10:10:28,512 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monB_DS14.xyz' 2025-08-31T10:10:28,513 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_dim_DS14.xyz' 2025-08-31T10:10:28,514 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monA_DS14.xyz' 2025-08-31T10:10:28,515 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monB_DS14.xyz' 2025-08-31T10:10:28,516 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz' 2025-08-31T10:10:28,517 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz' 2025-08-31T10:10:28,519 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz' 2025-08-31T10:10:28,520 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz' 2025-08-31T10:10:28,521 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz' 2025-08-31T10:10:28,522 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz' 2025-08-31T10:10:28,523 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_dim_DS14.xyz' 2025-08-31T10:10:28,524 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monA_DS14.xyz' 2025-08-31T10:10:28,526 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monB_DS14.xyz' 2025-08-31T10:10:28,527 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_dim_DS14.xyz' 2025-08-31T10:10:28,528 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monA_DS14.xyz' 2025-08-31T10:10:28,529 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monB_DS14.xyz' 2025-08-31T10:10:28,530 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz' 2025-08-31T10:10:28,531 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz' 2025-08-31T10:10:28,532 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz' 2025-08-31T10:10:28,533 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_dim_DS14.xyz' 2025-08-31T10:10:28,534 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monA_DS14.xyz' 2025-08-31T10:10:28,535 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monB_DS14.xyz' 2025-08-31T10:10:28,536 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_dim_DS14.xyz' 2025-08-31T10:10:28,537 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monA_DS14.xyz' 2025-08-31T10:10:28,538 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monB_DS14.xyz' 2025-08-31T10:10:28,540 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_dim_DS14.xyz' 2025-08-31T10:10:28,541 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monA_DS14.xyz' 2025-08-31T10:10:28,542 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monB_DS14.xyz' 2025-08-31T10:10:28,543 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz' 2025-08-31T10:10:28,544 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz' 2025-08-31T10:10:28,545 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz' 2025-08-31T10:10:28,546 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_dim_DS14.xyz' 2025-08-31T10:10:28,547 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monA_DS14.xyz' 2025-08-31T10:10:28,549 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monB_DS14.xyz' 2025-08-31T10:10:28,550 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_dim_DS14.xyz' 2025-08-31T10:10:28,551 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monA_DS14.xyz' 2025-08-31T10:10:28,552 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monB_DS14.xyz' 2025-08-31T10:10:28,554 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz' 2025-08-31T10:10:28,555 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz' 2025-08-31T10:10:28,556 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz' 2025-08-31T10:10:28,558 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz' 2025-08-31T10:10:28,559 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz' 2025-08-31T10:10:28,560 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz' 2025-08-31T10:10:28,561 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz' 2025-08-31T10:10:28,562 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz' 2025-08-31T10:10:28,563 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz' 2025-08-31T10:10:28,564 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz' 2025-08-31T10:10:28,565 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz' 2025-08-31T10:10:28,567 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz' 2025-08-31T10:10:28,568 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz' 2025-08-31T10:10:28,569 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz' 2025-08-31T10:10:28,570 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz' 2025-08-31T10:10:28,571 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz' 2025-08-31T10:10:28,572 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz' 2025-08-31T10:10:28,574 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz' 2025-08-31T10:10:28,575 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz' 2025-08-31T10:10:28,576 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz' 2025-08-31T10:10:28,577 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz' 2025-08-31T10:10:28,578 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz' 2025-08-31T10:10:28,579 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz' 2025-08-31T10:10:28,580 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz' 2025-08-31T10:10:28,581 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz' 2025-08-31T10:10:28,583 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz' 2025-08-31T10:10:28,585 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz' 2025-08-31T10:10:28,586 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz' 2025-08-31T10:10:28,587 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz' 2025-08-31T10:10:28,588 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz' 2025-08-31T10:10:28,589 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz' 2025-08-31T10:10:28,591 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz' 2025-08-31T10:10:28,592 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz' 2025-08-31T10:10:28,593 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz' 2025-08-31T10:10:28,594 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz' 2025-08-31T10:10:28,596 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz' 2025-08-31T10:10:28,597 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz' 2025-08-31T10:10:28,598 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz' 2025-08-31T10:10:28,599 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz' 2025-08-31T10:10:28,600 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz' 2025-08-31T10:10:28,601 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz' 2025-08-31T10:10:28,603 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz' 2025-08-31T10:10:28,604 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz' 2025-08-31T10:10:28,605 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz' 2025-08-31T10:10:28,606 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz' 2025-08-31T10:10:28,608 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz' 2025-08-31T10:10:28,609 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz' 2025-08-31T10:10:28,611 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz' 2025-08-31T10:10:28,612 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz' 2025-08-31T10:10:28,614 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz' 2025-08-31T10:10:28,615 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz' 2025-08-31T10:10:28,617 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz' 2025-08-31T10:10:28,618 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz' 2025-08-31T10:10:28,619 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz' 2025-08-31T10:10:28,620 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz' 2025-08-31T10:10:28,622 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz' 2025-08-31T10:10:28,623 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz' 2025-08-31T10:10:28,624 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz' 2025-08-31T10:10:28,626 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz' 2025-08-31T10:10:28,627 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz' 2025-08-31T10:10:28,628 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz' 2025-08-31T10:10:28,630 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz' 2025-08-31T10:10:28,631 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz' 2025-08-31T10:10:28,633 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz' 2025-08-31T10:10:28,634 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz' 2025-08-31T10:10:28,635 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz' 2025-08-31T10:10:28,636 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz' 2025-08-31T10:10:28,637 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz' 2025-08-31T10:10:28,638 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz' 2025-08-31T10:10:28,640 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz' 2025-08-31T10:10:28,644 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz' 2025-08-31T10:10:28,645 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz' 2025-08-31T10:10:28,646 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz' 2025-08-31T10:10:28,647 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz' 2025-08-31T10:10:28,649 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz' 2025-08-31T10:10:28,650 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz' 2025-08-31T10:10:28,652 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz' 2025-08-31T10:10:28,653 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz' 2025-08-31T10:10:28,654 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz' 2025-08-31T10:10:28,655 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz' 2025-08-31T10:10:28,656 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz' 2025-08-31T10:10:28,657 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz' 2025-08-31T10:10:28,659 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz' 2025-08-31T10:10:28,660 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz' 2025-08-31T10:10:28,661 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz' 2025-08-31T10:10:28,662 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz' 2025-08-31T10:10:28,663 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz' 2025-08-31T10:10:28,664 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz' 2025-08-31T10:10:28,666 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz' 2025-08-31T10:10:28,667 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz' 2025-08-31T10:10:28,668 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz' 2025-08-31T10:10:28,669 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz' 2025-08-31T10:10:28,670 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz' 2025-08-31T10:10:28,671 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz' 2025-08-31T10:10:28,672 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz' 2025-08-31T10:10:28,674 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz' 2025-08-31T10:10:28,675 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz' 2025-08-31T10:10:28,676 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz' 2025-08-31T10:10:28,677 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz' 2025-08-31T10:10:28,678 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz' 2025-08-31T10:10:28,679 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz' 2025-08-31T10:10:28,680 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz' 2025-08-31T10:10:28,681 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz' 2025-08-31T10:10:28,683 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz' 2025-08-31T10:10:28,684 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz' 2025-08-31T10:10:28,685 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz' 2025-08-31T10:10:28,686 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz' 2025-08-31T10:10:28,687 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz' 2025-08-31T10:10:28,688 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz' 2025-08-31T10:10:28,689 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz' 2025-08-31T10:10:28,691 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz' 2025-08-31T10:10:28,692 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz' 2025-08-31T10:10:28,693 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz' 2025-08-31T10:10:28,694 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz' 2025-08-31T10:10:28,695 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz' 2025-08-31T10:10:28,697 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz' 2025-08-31T10:10:28,698 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz' 2025-08-31T10:10:28,699 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz' 2025-08-31T10:10:28,700 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz' 2025-08-31T10:10:28,702 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz' 2025-08-31T10:10:28,703 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz' 2025-08-31T10:10:28,704 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz' 2025-08-31T10:10:28,705 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz' 2025-08-31T10:10:28,706 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz' 2025-08-31T10:10:28,707 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz' 2025-08-31T10:10:28,708 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz' 2025-08-31T10:10:28,709 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz' 2025-08-31T10:10:28,711 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz' 2025-08-31T10:10:28,712 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz' 2025-08-31T10:10:28,713 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz' 2025-08-31T10:10:28,714 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz' 2025-08-31T10:10:28,715 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz' 2025-08-31T10:10:28,716 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz' 2025-08-31T10:10:28,717 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz' 2025-08-31T10:10:28,718 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz' 2025-08-31T10:10:28,720 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz' 2025-08-31T10:10:28,721 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz' 2025-08-31T10:10:28,722 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz' 2025-08-31T10:10:28,723 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz' 2025-08-31T10:10:28,724 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz' 2025-08-31T10:10:28,725 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz' 2025-08-31T10:10:28,726 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz' 2025-08-31T10:10:28,728 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz' 2025-08-31T10:10:28,729 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz' 2025-08-31T10:10:28,730 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz' 2025-08-31T10:10:28,731 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz' 2025-08-31T10:10:28,732 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz' 2025-08-31T10:10:28,733 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz' 2025-08-31T10:10:28,734 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz' 2025-08-31T10:10:28,735 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz' 2025-08-31T10:10:28,736 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz' 2025-08-31T10:10:28,737 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz' 2025-08-31T10:10:28,738 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz' 2025-08-31T10:10:28,740 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz' 2025-08-31T10:10:28,741 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz' 2025-08-31T10:10:28,742 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz' 2025-08-31T10:10:28,743 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz' 2025-08-31T10:10:28,744 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz' 2025-08-31T10:10:28,745 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz' 2025-08-31T10:10:28,746 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz' 2025-08-31T10:10:28,748 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz' 2025-08-31T10:10:28,749 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz' 2025-08-31T10:10:28,750 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz' 2025-08-31T10:10:28,751 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz' 2025-08-31T10:10:28,752 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz' 2025-08-31T10:10:28,753 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz' 2025-08-31T10:10:28,754 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz' 2025-08-31T10:10:28,756 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz' 2025-08-31T10:10:28,757 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz' 2025-08-31T10:10:28,758 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz' 2025-08-31T10:10:28,759 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz' 2025-08-31T10:10:28,760 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz' 2025-08-31T10:10:28,761 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz' 2025-08-31T10:10:28,762 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz' 2025-08-31T10:10:28,764 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz' 2025-08-31T10:10:28,765 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz' 2025-08-31T10:10:28,766 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz' 2025-08-31T10:10:28,767 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz' 2025-08-31T10:10:28,768 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz' 2025-08-31T10:10:28,770 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz' 2025-08-31T10:10:28,771 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz' 2025-08-31T10:10:28,772 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz' 2025-08-31T10:10:28,773 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz' 2025-08-31T10:10:28,774 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz' 2025-08-31T10:10:28,775 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz' 2025-08-31T10:10:28,776 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz' 2025-08-31T10:10:28,777 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz' 2025-08-31T10:10:28,778 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz' 2025-08-31T10:10:28,779 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz' 2025-08-31T10:10:28,780 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz' 2025-08-31T10:10:28,783 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz' 2025-08-31T10:10:28,784 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz' 2025-08-31T10:10:28,785 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz' 2025-08-31T10:10:28,786 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz' 2025-08-31T10:10:28,787 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz' 2025-08-31T10:10:28,788 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz' 2025-08-31T10:10:28,789 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz' 2025-08-31T10:10:28,790 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz' 2025-08-31T10:10:28,792 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz' 2025-08-31T10:10:28,793 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz' 2025-08-31T10:10:28,794 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz' 2025-08-31T10:10:28,795 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz' 2025-08-31T10:10:28,796 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz' 2025-08-31T10:10:28,797 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz' 2025-08-31T10:10:28,798 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz' 2025-08-31T10:10:28,799 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz' 2025-08-31T10:10:28,800 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz' 2025-08-31T10:10:28,801 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz' 2025-08-31T10:10:28,803 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz' 2025-08-31T10:10:28,804 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz' 2025-08-31T10:10:28,805 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz' 2025-08-31T10:10:28,806 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz' 2025-08-31T10:10:28,807 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz' 2025-08-31T10:10:28,808 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz' 2025-08-31T10:10:28,810 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz' 2025-08-31T10:10:28,811 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz' 2025-08-31T10:10:28,812 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz' 2025-08-31T10:10:28,813 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz' 2025-08-31T10:10:28,815 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz' 2025-08-31T10:10:28,816 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz' 2025-08-31T10:10:28,817 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz' 2025-08-31T10:10:28,818 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz' 2025-08-31T10:10:28,819 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz' 2025-08-31T10:10:28,820 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz' 2025-08-31T10:10:28,821 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz' 2025-08-31T10:10:28,822 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz' 2025-08-31T10:10:28,823 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz' 2025-08-31T10:10:28,825 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz' 2025-08-31T10:10:28,826 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz' 2025-08-31T10:10:28,827 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz' 2025-08-31T10:10:28,828 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz' 2025-08-31T10:10:28,829 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz' 2025-08-31T10:10:28,830 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz' 2025-08-31T10:10:28,831 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz' 2025-08-31T10:10:28,832 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz' 2025-08-31T10:10:28,833 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz' 2025-08-31T10:10:28,834 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz' 2025-08-31T10:10:28,835 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz' 2025-08-31T10:10:28,836 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz' 2025-08-31T10:10:28,837 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz' 2025-08-31T10:10:28,840 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz' 2025-08-31T10:10:28,841 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz' 2025-08-31T10:10:28,842 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz' 2025-08-31T10:10:28,843 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz' 2025-08-31T10:10:28,844 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz' 2025-08-31T10:10:28,845 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz' 2025-08-31T10:10:28,846 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz' 2025-08-31T10:10:28,847 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz' 2025-08-31T10:10:28,848 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz' 2025-08-31T10:10:28,849 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz' 2025-08-31T10:10:28,850 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz' 2025-08-31T10:10:28,852 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz' 2025-08-31T10:10:28,853 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz' 2025-08-31T10:10:28,854 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz' 2025-08-31T10:10:28,855 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz' 2025-08-31T10:10:28,856 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz' 2025-08-31T10:10:28,857 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz' 2025-08-31T10:10:28,858 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz' 2025-08-31T10:10:28,859 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz' 2025-08-31T10:10:28,860 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz' 2025-08-31T10:10:28,862 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz' 2025-08-31T10:10:28,863 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz' 2025-08-31T10:10:28,864 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz' 2025-08-31T10:10:28,865 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz' 2025-08-31T10:10:28,866 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz' 2025-08-31T10:10:28,867 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz' 2025-08-31T10:10:28,868 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz' 2025-08-31T10:10:28,869 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz' 2025-08-31T10:10:28,870 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz' 2025-08-31T10:10:28,871 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz' 2025-08-31T10:10:28,873 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz' 2025-08-31T10:10:28,874 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz' 2025-08-31T10:10:28,875 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz' 2025-08-31T10:10:28,876 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz' 2025-08-31T10:10:28,877 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz' 2025-08-31T10:10:28,878 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz' 2025-08-31T10:10:28,879 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz' 2025-08-31T10:10:28,880 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz' 2025-08-31T10:10:28,881 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz' 2025-08-31T10:10:28,882 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz' 2025-08-31T10:10:28,884 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz' 2025-08-31T10:10:28,885 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz' 2025-08-31T10:10:28,886 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz' 2025-08-31T10:10:28,887 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz' 2025-08-31T10:10:28,888 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz' 2025-08-31T10:10:28,889 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz' 2025-08-31T10:10:28,890 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz' 2025-08-31T10:10:28,891 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz' 2025-08-31T10:10:28,892 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz' 2025-08-31T10:10:28,893 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz' 2025-08-31T10:10:28,894 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz' 2025-08-31T10:10:28,896 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz' 2025-08-31T10:10:28,897 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz' 2025-08-31T10:10:28,898 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz' 2025-08-31T10:10:28,899 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz' 2025-08-31T10:10:28,900 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz' 2025-08-31T10:10:28,901 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz' 2025-08-31T10:10:28,902 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz' 2025-08-31T10:10:28,903 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz' 2025-08-31T10:10:28,904 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz' 2025-08-31T10:10:28,905 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz' 2025-08-31T10:10:28,907 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz' 2025-08-31T10:10:28,908 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz' 2025-08-31T10:10:28,909 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz' 2025-08-31T10:10:28,910 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz' 2025-08-31T10:10:28,911 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz' 2025-08-31T10:10:28,912 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz' 2025-08-31T10:10:28,913 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz' 2025-08-31T10:10:28,914 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz' 2025-08-31T10:10:28,915 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz' 2025-08-31T10:10:28,916 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz' 2025-08-31T10:10:28,918 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz' 2025-08-31T10:10:28,920 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz' 2025-08-31T10:10:28,921 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz' 2025-08-31T10:10:28,922 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz' 2025-08-31T10:10:28,924 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz' 2025-08-31T10:10:28,929 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz' 2025-08-31T10:10:28,931 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:28,932 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:28,933 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:28,934 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:28,935 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:28,936 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:28,937 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:28,938 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:28,939 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:28,940 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:28,942 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:28,943 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:28,944 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:28,945 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:28,946 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:28,947 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:28,948 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:28,949 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:28,950 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:28,952 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:28,953 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz' 2025-08-31T10:10:28,954 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:28,955 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:28,956 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:28,957 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:28,959 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:28,960 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:28,961 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:28,962 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:28,963 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:28,964 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:28,966 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:28,967 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:28,968 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:28,969 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:28,970 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:28,971 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:28,973 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:28,974 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:28,975 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:28,976 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:28,977 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz' 2025-08-31T10:10:28,978 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:28,979 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:28,980 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:28,981 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:28,982 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:28,983 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:28,985 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:28,986 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:28,987 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:28,988 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:28,989 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:28,990 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:28,991 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:28,992 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:28,993 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:28,994 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:28,995 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:28,997 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:28,998 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:28,999 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,000 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz' 2025-08-31T10:10:29,001 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:29,003 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:29,004 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:29,005 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:29,006 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:29,007 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:29,008 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:29,009 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:29,010 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:29,012 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:29,013 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:29,014 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:29,015 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:29,016 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:29,017 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:29,018 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:29,019 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:29,020 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:29,021 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:29,022 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,024 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz' 2025-08-31T10:10:29,025 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:29,026 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:29,027 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:29,028 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:29,029 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:29,030 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:29,031 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:29,033 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:29,034 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:29,035 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:29,036 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:29,037 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:29,038 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:29,039 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:29,040 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:29,041 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:29,043 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:29,044 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:29,045 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:29,046 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,047 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz' 2025-08-31T10:10:29,049 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:29,050 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:29,051 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:29,052 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:29,053 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:29,054 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:29,055 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:29,057 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:29,058 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:29,059 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:29,060 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:29,061 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:29,062 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:29,063 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:29,064 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:29,065 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:29,066 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:29,067 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:29,068 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:29,069 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,071 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz' 2025-08-31T10:10:29,072 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:29,073 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:29,074 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:29,075 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:29,076 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:29,077 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:29,079 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:29,080 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:29,081 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:29,082 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:29,083 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:29,084 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:29,085 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:29,086 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:29,088 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:29,089 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:29,090 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:29,091 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:29,092 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:29,093 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,095 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz' 2025-08-31T10:10:29,096 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:29,097 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:29,098 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:29,099 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:29,100 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:29,101 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:29,102 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:29,103 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:29,104 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:29,105 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:29,106 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:29,108 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:29,109 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:29,110 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:29,111 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:29,112 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:29,113 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:29,114 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:29,115 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:29,116 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,118 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz' 2025-08-31T10:10:29,119 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:29,120 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:29,121 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:29,122 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:29,123 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:29,125 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:29,126 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:29,127 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:29,128 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:29,129 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:29,130 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:29,131 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:29,132 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:29,133 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:29,135 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:29,136 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:29,137 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:29,138 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:29,139 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:29,140 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,141 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz' 2025-08-31T10:10:29,142 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:29,143 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:29,144 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:29,146 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:29,147 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:29,148 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:29,149 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:29,150 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:29,151 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:29,152 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:29,153 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:29,155 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:29,156 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:29,157 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:29,158 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:29,159 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:29,160 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:29,161 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:29,162 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:29,164 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,165 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz' 2025-08-31T10:10:29,166 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz' 2025-08-31T10:10:29,168 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz' 2025-08-31T10:10:29,169 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz' 2025-08-31T10:10:29,170 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz' 2025-08-31T10:10:29,176 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz' 2025-08-31T10:10:29,177 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:29,178 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:29,180 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:29,181 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:29,182 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:29,183 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:29,184 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:29,185 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:29,186 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:29,187 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:29,188 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:29,189 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:29,190 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:29,191 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:29,193 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:29,194 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:29,195 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:29,196 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:29,197 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:29,198 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,200 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz' 2025-08-31T10:10:29,201 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:29,202 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:29,203 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:29,204 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:29,205 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:29,206 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:29,207 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:29,209 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:29,210 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:29,211 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:29,212 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:29,213 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:29,214 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:29,215 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:29,216 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:29,218 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:29,219 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:29,220 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:29,221 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:29,222 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,224 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz' 2025-08-31T10:10:29,225 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:29,226 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:29,227 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:29,228 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:29,229 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:29,230 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:29,231 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:29,232 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:29,234 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:29,235 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:29,236 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:29,237 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:29,238 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:29,239 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:29,240 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:29,241 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:29,242 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:29,243 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:29,245 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:29,246 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,248 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz' 2025-08-31T10:10:29,249 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:29,250 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:29,251 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:29,252 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:29,254 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:29,255 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:29,256 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:29,257 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:29,258 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:29,259 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:29,260 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:29,262 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:29,263 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:29,264 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:29,265 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:29,266 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:29,267 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:29,269 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:29,269 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:29,271 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,272 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz' 2025-08-31T10:10:29,273 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:29,274 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:29,275 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:29,276 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:29,277 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:29,278 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:29,280 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:29,281 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:29,282 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:29,283 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:29,284 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:29,285 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:29,286 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:29,287 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:29,289 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:29,290 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:29,291 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:29,292 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:29,293 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:29,294 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,296 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz' 2025-08-31T10:10:29,297 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:29,298 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:29,299 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:29,300 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:29,301 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:29,302 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:29,303 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:29,305 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:29,306 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:29,307 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:29,308 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:29,309 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:29,310 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:29,311 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:29,312 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:29,313 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:29,314 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:29,315 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:29,316 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:29,317 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,319 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz' 2025-08-31T10:10:29,320 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:29,321 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:29,322 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:29,323 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:29,324 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:29,325 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:29,326 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:29,327 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:29,328 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:29,329 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:29,330 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:29,332 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:29,333 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:29,334 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:29,335 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:29,336 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:29,337 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:29,338 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:29,340 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:29,341 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,342 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz' 2025-08-31T10:10:29,343 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:29,344 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:29,345 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:29,346 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:29,348 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:29,349 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:29,350 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:29,351 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:29,352 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:29,353 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:29,354 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:29,355 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:29,356 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:29,357 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:29,358 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:29,359 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:29,360 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:29,361 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:29,362 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:29,364 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,365 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz' 2025-08-31T10:10:29,366 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:29,367 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:29,368 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:29,369 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:29,370 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:29,371 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:29,372 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:29,373 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:29,374 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:29,376 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:29,377 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:29,378 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:29,379 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:29,380 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:29,381 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:29,382 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:29,383 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:29,384 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:29,386 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:29,387 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,388 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz' 2025-08-31T10:10:29,389 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz' 2025-08-31T10:10:29,390 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz' 2025-08-31T10:10:29,392 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz' 2025-08-31T10:10:29,393 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz' 2025-08-31T10:10:29,394 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz' 2025-08-31T10:10:29,395 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz' 2025-08-31T10:10:29,396 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz' 2025-08-31T10:10:29,397 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz' 2025-08-31T10:10:29,398 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz' 2025-08-31T10:10:29,399 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz' 2025-08-31T10:10:29,400 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz' 2025-08-31T10:10:29,401 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz' 2025-08-31T10:10:29,402 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz' 2025-08-31T10:10:29,403 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz' 2025-08-31T10:10:29,404 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz' 2025-08-31T10:10:29,405 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz' 2025-08-31T10:10:29,406 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz' 2025-08-31T10:10:29,407 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz' 2025-08-31T10:10:29,408 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz' 2025-08-31T10:10:29,409 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz' 2025-08-31T10:10:29,411 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz' 2025-08-31T10:10:29,412 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz' 2025-08-31T10:10:29,414 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz' 2025-08-31T10:10:29,415 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz' 2025-08-31T10:10:29,418 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz' 2025-08-31T10:10:29,419 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz' 2025-08-31T10:10:29,420 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz' 2025-08-31T10:10:29,421 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz' 2025-08-31T10:10:29,422 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz' 2025-08-31T10:10:29,423 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz' 2025-08-31T10:10:29,425 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz' 2025-08-31T10:10:29,426 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz' 2025-08-31T10:10:29,427 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz' 2025-08-31T10:10:29,428 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz' 2025-08-31T10:10:29,429 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz' 2025-08-31T10:10:29,430 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz' 2025-08-31T10:10:29,431 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz' 2025-08-31T10:10:29,432 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz' 2025-08-31T10:10:29,434 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz' 2025-08-31T10:10:29,435 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz' 2025-08-31T10:10:29,436 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz' 2025-08-31T10:10:29,437 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz' 2025-08-31T10:10:29,438 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz' 2025-08-31T10:10:29,439 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz' 2025-08-31T10:10:29,440 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz' 2025-08-31T10:10:29,441 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz' 2025-08-31T10:10:29,442 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz' 2025-08-31T10:10:29,443 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz' 2025-08-31T10:10:29,444 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz' 2025-08-31T10:10:29,445 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz' 2025-08-31T10:10:29,446 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz' 2025-08-31T10:10:29,447 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz' 2025-08-31T10:10:29,448 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz' 2025-08-31T10:10:29,450 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz' 2025-08-31T10:10:29,451 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz' 2025-08-31T10:10:29,452 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz' 2025-08-31T10:10:29,453 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz' 2025-08-31T10:10:29,454 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz' 2025-08-31T10:10:29,455 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz' 2025-08-31T10:10:29,456 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz' 2025-08-31T10:10:29,457 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz' 2025-08-31T10:10:29,458 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz' 2025-08-31T10:10:29,460 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz' 2025-08-31T10:10:29,461 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz' 2025-08-31T10:10:29,463 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz' 2025-08-31T10:10:29,464 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz' 2025-08-31T10:10:29,465 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz' 2025-08-31T10:10:29,466 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon1_H2O6Bind8.xyz' 2025-08-31T10:10:29,467 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon2_H2O6Bind8.xyz' 2025-08-31T10:10:29,469 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon3_H2O6Bind8.xyz' 2025-08-31T10:10:29,470 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon4_H2O6Bind8.xyz' 2025-08-31T10:10:29,471 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon5_H2O6Bind8.xyz' 2025-08-31T10:10:29,472 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon6_H2O6Bind8.xyz' 2025-08-31T10:10:29,473 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz' 2025-08-31T10:10:29,474 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon1_H2O6Bind8.xyz' 2025-08-31T10:10:29,475 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon2_H2O6Bind8.xyz' 2025-08-31T10:10:29,477 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon3_H2O6Bind8.xyz' 2025-08-31T10:10:29,478 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon4_H2O6Bind8.xyz' 2025-08-31T10:10:29,479 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon5_H2O6Bind8.xyz' 2025-08-31T10:10:29,480 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon6_H2O6Bind8.xyz' 2025-08-31T10:10:29,483 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz' 2025-08-31T10:10:29,484 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz' 2025-08-31T10:10:29,485 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz' 2025-08-31T10:10:29,486 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz' 2025-08-31T10:10:29,487 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz' 2025-08-31T10:10:29,488 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz' 2025-08-31T10:10:29,489 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz' 2025-08-31T10:10:29,490 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz' 2025-08-31T10:10:29,491 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz' 2025-08-31T10:10:29,492 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz' 2025-08-31T10:10:29,493 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz' 2025-08-31T10:10:29,494 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz' 2025-08-31T10:10:29,495 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz' 2025-08-31T10:10:29,496 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz' 2025-08-31T10:10:29,497 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz' 2025-08-31T10:10:29,498 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz' 2025-08-31T10:10:29,499 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz' 2025-08-31T10:10:29,500 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz' 2025-08-31T10:10:29,502 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz' 2025-08-31T10:10:29,503 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz' 2025-08-31T10:10:29,504 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz' 2025-08-31T10:10:29,505 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz' 2025-08-31T10:10:29,506 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz' 2025-08-31T10:10:29,507 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz' 2025-08-31T10:10:29,508 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz' 2025-08-31T10:10:29,509 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz' 2025-08-31T10:10:29,510 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz' 2025-08-31T10:10:29,511 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz' 2025-08-31T10:10:29,512 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz' 2025-08-31T10:10:29,513 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz' 2025-08-31T10:10:29,514 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz' 2025-08-31T10:10:29,516 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz' 2025-08-31T10:10:29,517 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz' 2025-08-31T10:10:29,518 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz' 2025-08-31T10:10:29,519 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz' 2025-08-31T10:10:29,520 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz' 2025-08-31T10:10:29,521 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz' 2025-08-31T10:10:29,522 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz' 2025-08-31T10:10:29,523 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz' 2025-08-31T10:10:29,524 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz' 2025-08-31T10:10:29,525 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz' 2025-08-31T10:10:29,527 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz' 2025-08-31T10:10:29,528 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz' 2025-08-31T10:10:29,529 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz' 2025-08-31T10:10:29,530 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz' 2025-08-31T10:10:29,531 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz' 2025-08-31T10:10:29,532 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz' 2025-08-31T10:10:29,533 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz' 2025-08-31T10:10:29,534 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz' 2025-08-31T10:10:29,535 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz' 2025-08-31T10:10:29,536 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz' 2025-08-31T10:10:29,537 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz' 2025-08-31T10:10:29,538 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz' 2025-08-31T10:10:29,539 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz' 2025-08-31T10:10:29,540 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz' 2025-08-31T10:10:29,541 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz' 2025-08-31T10:10:29,542 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz' 2025-08-31T10:10:29,543 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz' 2025-08-31T10:10:29,544 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz' 2025-08-31T10:10:29,545 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz' 2025-08-31T10:10:29,546 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz' 2025-08-31T10:10:29,547 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz' 2025-08-31T10:10:29,548 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz' 2025-08-31T10:10:29,549 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz' 2025-08-31T10:10:29,550 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz' 2025-08-31T10:10:29,551 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz' 2025-08-31T10:10:29,552 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz' 2025-08-31T10:10:29,553 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz' 2025-08-31T10:10:29,554 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz' 2025-08-31T10:10:29,555 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz' 2025-08-31T10:10:29,556 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz' 2025-08-31T10:10:29,558 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz' 2025-08-31T10:10:29,559 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz' 2025-08-31T10:10:29,560 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz' 2025-08-31T10:10:29,561 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz' 2025-08-31T10:10:29,562 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz' 2025-08-31T10:10:29,563 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz' 2025-08-31T10:10:29,564 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz' 2025-08-31T10:10:29,565 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz' 2025-08-31T10:10:29,566 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz' 2025-08-31T10:10:29,567 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz' 2025-08-31T10:10:29,569 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz' 2025-08-31T10:10:29,570 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz' 2025-08-31T10:10:29,571 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz' 2025-08-31T10:10:29,572 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz' 2025-08-31T10:10:29,573 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz' 2025-08-31T10:10:29,574 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz' 2025-08-31T10:10:29,575 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz' 2025-08-31T10:10:29,576 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz' 2025-08-31T10:10:29,577 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz' 2025-08-31T10:10:29,578 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz' 2025-08-31T10:10:29,579 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz' 2025-08-31T10:10:29,580 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz' 2025-08-31T10:10:29,581 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz' 2025-08-31T10:10:29,582 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz' 2025-08-31T10:10:29,583 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz' 2025-08-31T10:10:29,584 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz' 2025-08-31T10:10:29,585 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz' 2025-08-31T10:10:29,586 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz' 2025-08-31T10:10:29,587 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz' 2025-08-31T10:10:29,589 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz' 2025-08-31T10:10:29,591 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz' 2025-08-31T10:10:29,592 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz' 2025-08-31T10:10:29,593 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz' 2025-08-31T10:10:29,594 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz' 2025-08-31T10:10:29,595 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz' 2025-08-31T10:10:29,596 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz' 2025-08-31T10:10:29,597 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz' 2025-08-31T10:10:29,598 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz' 2025-08-31T10:10:29,600 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz' 2025-08-31T10:10:29,601 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz' 2025-08-31T10:10:29,602 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz' 2025-08-31T10:10:29,603 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz' 2025-08-31T10:10:29,604 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz' 2025-08-31T10:10:29,605 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz' 2025-08-31T10:10:29,606 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz' 2025-08-31T10:10:29,607 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz' 2025-08-31T10:10:29,609 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz' 2025-08-31T10:10:29,610 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz' 2025-08-31T10:10:29,611 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz' 2025-08-31T10:10:29,612 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz' 2025-08-31T10:10:29,613 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz' 2025-08-31T10:10:29,614 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz' 2025-08-31T10:10:29,616 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz' 2025-08-31T10:10:29,617 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz' 2025-08-31T10:10:29,618 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz' 2025-08-31T10:10:29,619 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz' 2025-08-31T10:10:29,620 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz' 2025-08-31T10:10:29,621 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz' 2025-08-31T10:10:29,622 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz' 2025-08-31T10:10:29,623 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz' 2025-08-31T10:10:29,624 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz' 2025-08-31T10:10:29,625 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz' 2025-08-31T10:10:29,626 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz' 2025-08-31T10:10:29,627 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz' 2025-08-31T10:10:29,628 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz' 2025-08-31T10:10:29,630 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz' 2025-08-31T10:10:29,631 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz' 2025-08-31T10:10:29,632 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz' 2025-08-31T10:10:29,633 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz' 2025-08-31T10:10:29,634 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz' 2025-08-31T10:10:29,635 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz' 2025-08-31T10:10:29,636 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz' 2025-08-31T10:10:29,637 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz' 2025-08-31T10:10:29,638 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz' 2025-08-31T10:10:29,640 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz' 2025-08-31T10:10:29,642 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz' 2025-08-31T10:10:29,643 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz' 2025-08-31T10:10:29,645 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz' 2025-08-31T10:10:29,646 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz' 2025-08-31T10:10:29,647 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz' 2025-08-31T10:10:29,648 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz' 2025-08-31T10:10:29,649 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz' 2025-08-31T10:10:29,650 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz' 2025-08-31T10:10:29,651 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz' 2025-08-31T10:10:29,652 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz' 2025-08-31T10:10:29,653 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz' 2025-08-31T10:10:29,654 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz' 2025-08-31T10:10:29,655 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz' 2025-08-31T10:10:29,657 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz' 2025-08-31T10:10:29,658 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz' 2025-08-31T10:10:29,659 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz' 2025-08-31T10:10:29,660 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz' 2025-08-31T10:10:29,661 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz' 2025-08-31T10:10:29,662 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz' 2025-08-31T10:10:29,663 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz' 2025-08-31T10:10:29,664 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz' 2025-08-31T10:10:29,665 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz' 2025-08-31T10:10:29,667 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz' 2025-08-31T10:10:29,668 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz' 2025-08-31T10:10:29,669 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz' 2025-08-31T10:10:29,670 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz' 2025-08-31T10:10:29,671 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz' 2025-08-31T10:10:29,672 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz' 2025-08-31T10:10:29,673 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz' 2025-08-31T10:10:29,674 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz' 2025-08-31T10:10:29,675 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz' 2025-08-31T10:10:29,676 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz' 2025-08-31T10:10:29,677 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz' 2025-08-31T10:10:29,678 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz' 2025-08-31T10:10:29,679 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz' 2025-08-31T10:10:29,680 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz' 2025-08-31T10:10:29,681 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz' 2025-08-31T10:10:29,682 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz' 2025-08-31T10:10:29,684 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz' 2025-08-31T10:10:29,685 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz' 2025-08-31T10:10:29,686 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz' 2025-08-31T10:10:29,687 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz' 2025-08-31T10:10:29,688 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz' 2025-08-31T10:10:29,689 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz' 2025-08-31T10:10:29,690 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz' 2025-08-31T10:10:29,691 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz' 2025-08-31T10:10:29,692 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz' 2025-08-31T10:10:29,694 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz' 2025-08-31T10:10:29,695 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz' 2025-08-31T10:10:29,696 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz' 2025-08-31T10:10:29,697 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz' 2025-08-31T10:10:29,698 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz' 2025-08-31T10:10:29,699 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz' 2025-08-31T10:10:29,700 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz' 2025-08-31T10:10:29,701 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz' 2025-08-31T10:10:29,702 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz' 2025-08-31T10:10:29,704 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz' 2025-08-31T10:10:29,705 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz' 2025-08-31T10:10:29,706 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz' 2025-08-31T10:10:29,707 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz' 2025-08-31T10:10:29,708 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz' 2025-08-31T10:10:29,709 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz' 2025-08-31T10:10:29,710 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz' 2025-08-31T10:10:29,712 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz' 2025-08-31T10:10:29,713 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz' 2025-08-31T10:10:29,714 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz' 2025-08-31T10:10:29,715 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz' 2025-08-31T10:10:29,716 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz' 2025-08-31T10:10:29,717 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz' 2025-08-31T10:10:29,718 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz' 2025-08-31T10:10:29,719 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz' 2025-08-31T10:10:29,721 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz' 2025-08-31T10:10:29,722 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz' 2025-08-31T10:10:29,723 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz' 2025-08-31T10:10:29,724 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz' 2025-08-31T10:10:29,726 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz' 2025-08-31T10:10:29,727 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz' 2025-08-31T10:10:29,728 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz' 2025-08-31T10:10:29,729 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz' 2025-08-31T10:10:29,730 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz' 2025-08-31T10:10:29,731 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz' 2025-08-31T10:10:29,732 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz' 2025-08-31T10:10:29,733 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz' 2025-08-31T10:10:29,735 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz' 2025-08-31T10:10:29,736 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz' 2025-08-31T10:10:29,737 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz' 2025-08-31T10:10:29,738 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz' 2025-08-31T10:10:29,739 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz' 2025-08-31T10:10:29,740 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz' 2025-08-31T10:10:29,741 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz' 2025-08-31T10:10:29,742 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz' 2025-08-31T10:10:29,744 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz' 2025-08-31T10:10:29,745 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz' 2025-08-31T10:10:29,746 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz' 2025-08-31T10:10:29,747 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz' 2025-08-31T10:10:29,748 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz' 2025-08-31T10:10:29,749 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz' 2025-08-31T10:10:29,750 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz' 2025-08-31T10:10:29,752 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz' 2025-08-31T10:10:29,753 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz' 2025-08-31T10:10:29,754 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz' 2025-08-31T10:10:29,755 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz' 2025-08-31T10:10:29,756 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz' 2025-08-31T10:10:29,757 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz' 2025-08-31T10:10:29,758 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz' 2025-08-31T10:10:29,759 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz' 2025-08-31T10:10:29,760 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz' 2025-08-31T10:10:29,761 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz' 2025-08-31T10:10:29,764 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz' 2025-08-31T10:10:29,765 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz' 2025-08-31T10:10:29,766 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz' 2025-08-31T10:10:29,767 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz' 2025-08-31T10:10:29,768 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz' 2025-08-31T10:10:29,769 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz' 2025-08-31T10:10:29,771 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz' 2025-08-31T10:10:29,772 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz' 2025-08-31T10:10:29,773 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz' 2025-08-31T10:10:29,774 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz' 2025-08-31T10:10:29,775 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz' 2025-08-31T10:10:29,776 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz' 2025-08-31T10:10:29,777 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz' 2025-08-31T10:10:29,778 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz' 2025-08-31T10:10:29,780 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz' 2025-08-31T10:10:29,781 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz' 2025-08-31T10:10:29,782 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz' 2025-08-31T10:10:29,783 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz' 2025-08-31T10:10:29,784 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz' 2025-08-31T10:10:29,785 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz' 2025-08-31T10:10:29,786 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz' 2025-08-31T10:10:29,787 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_dim_HSG.xyz' 2025-08-31T10:10:29,789 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monA_HSG.xyz' 2025-08-31T10:10:29,790 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monB_HSG.xyz' 2025-08-31T10:10:29,791 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz' 2025-08-31T10:10:29,792 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz' 2025-08-31T10:10:29,793 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz' 2025-08-31T10:10:29,795 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz' 2025-08-31T10:10:29,796 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz' 2025-08-31T10:10:29,797 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz' 2025-08-31T10:10:29,798 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz' 2025-08-31T10:10:29,799 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz' 2025-08-31T10:10:29,800 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz' 2025-08-31T10:10:29,802 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz' 2025-08-31T10:10:29,803 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz' 2025-08-31T10:10:29,804 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz' 2025-08-31T10:10:29,805 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz' 2025-08-31T10:10:29,807 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz' 2025-08-31T10:10:29,808 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz' 2025-08-31T10:10:29,809 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz' 2025-08-31T10:10:29,810 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz' 2025-08-31T10:10:29,811 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz' 2025-08-31T10:10:29,813 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz' 2025-08-31T10:10:29,814 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz' 2025-08-31T10:10:29,815 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz' 2025-08-31T10:10:29,816 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz' 2025-08-31T10:10:29,817 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz' 2025-08-31T10:10:29,818 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz' 2025-08-31T10:10:29,820 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz' 2025-08-31T10:10:29,821 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz' 2025-08-31T10:10:29,822 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz' 2025-08-31T10:10:29,823 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz' 2025-08-31T10:10:29,824 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz' 2025-08-31T10:10:29,826 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz' 2025-08-31T10:10:29,827 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz' 2025-08-31T10:10:29,828 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz' 2025-08-31T10:10:29,829 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz' 2025-08-31T10:10:29,830 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz' 2025-08-31T10:10:29,831 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz' 2025-08-31T10:10:29,832 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz' 2025-08-31T10:10:29,833 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz' 2025-08-31T10:10:29,834 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz' 2025-08-31T10:10:29,836 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz' 2025-08-31T10:10:29,838 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz' 2025-08-31T10:10:29,839 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz' 2025-08-31T10:10:29,840 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz' 2025-08-31T10:10:29,841 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz' 2025-08-31T10:10:29,842 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz' 2025-08-31T10:10:29,843 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz' 2025-08-31T10:10:29,844 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz' 2025-08-31T10:10:29,846 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz' 2025-08-31T10:10:29,847 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz' 2025-08-31T10:10:29,848 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz' 2025-08-31T10:10:29,849 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz' 2025-08-31T10:10:29,850 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz' 2025-08-31T10:10:29,851 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz' 2025-08-31T10:10:29,853 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz' 2025-08-31T10:10:29,854 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz' 2025-08-31T10:10:29,855 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz' 2025-08-31T10:10:29,856 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz' 2025-08-31T10:10:29,857 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz' 2025-08-31T10:10:29,858 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz' 2025-08-31T10:10:29,859 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz' 2025-08-31T10:10:29,861 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz' 2025-08-31T10:10:29,862 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz' 2025-08-31T10:10:29,863 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz' 2025-08-31T10:10:29,864 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz' 2025-08-31T10:10:29,865 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz' 2025-08-31T10:10:29,866 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz' 2025-08-31T10:10:29,867 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz' 2025-08-31T10:10:29,868 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz' 2025-08-31T10:10:29,869 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz' 2025-08-31T10:10:29,870 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz' 2025-08-31T10:10:29,871 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz' 2025-08-31T10:10:29,872 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz' 2025-08-31T10:10:29,874 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz' 2025-08-31T10:10:29,875 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz' 2025-08-31T10:10:29,876 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz' 2025-08-31T10:10:29,877 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz' 2025-08-31T10:10:29,878 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz' 2025-08-31T10:10:29,879 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz' 2025-08-31T10:10:29,880 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz' 2025-08-31T10:10:29,881 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz' 2025-08-31T10:10:29,884 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_dim_HW30.xyz' 2025-08-31T10:10:29,886 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monA_HW30.xyz' 2025-08-31T10:10:29,887 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monB_HW30.xyz' 2025-08-31T10:10:29,888 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_dim_HW30.xyz' 2025-08-31T10:10:29,889 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monA_HW30.xyz' 2025-08-31T10:10:29,890 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monB_HW30.xyz' 2025-08-31T10:10:29,891 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_dim_HW30.xyz' 2025-08-31T10:10:29,892 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monA_HW30.xyz' 2025-08-31T10:10:29,893 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monB_HW30.xyz' 2025-08-31T10:10:29,895 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_dim_HW30.xyz' 2025-08-31T10:10:29,896 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monA_HW30.xyz' 2025-08-31T10:10:29,897 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monB_HW30.xyz' 2025-08-31T10:10:29,898 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_dim_HW30.xyz' 2025-08-31T10:10:29,899 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monA_HW30.xyz' 2025-08-31T10:10:29,901 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monB_HW30.xyz' 2025-08-31T10:10:29,902 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_dim_HW30.xyz' 2025-08-31T10:10:29,903 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monA_HW30.xyz' 2025-08-31T10:10:29,904 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monB_HW30.xyz' 2025-08-31T10:10:29,905 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_dim_HW30.xyz' 2025-08-31T10:10:29,906 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monA_HW30.xyz' 2025-08-31T10:10:29,908 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monB_HW30.xyz' 2025-08-31T10:10:29,909 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_dim_HW30.xyz' 2025-08-31T10:10:29,910 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monA_HW30.xyz' 2025-08-31T10:10:29,911 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monB_HW30.xyz' 2025-08-31T10:10:29,912 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_dim_HW30.xyz' 2025-08-31T10:10:29,913 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monA_HW30.xyz' 2025-08-31T10:10:29,914 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monB_HW30.xyz' 2025-08-31T10:10:29,915 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_dim_HW30.xyz' 2025-08-31T10:10:29,916 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monA_HW30.xyz' 2025-08-31T10:10:29,917 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monB_HW30.xyz' 2025-08-31T10:10:29,918 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_dim_HW30.xyz' 2025-08-31T10:10:29,919 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monA_HW30.xyz' 2025-08-31T10:10:29,920 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monB_HW30.xyz' 2025-08-31T10:10:29,922 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_dim_HW30.xyz' 2025-08-31T10:10:29,923 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monA_HW30.xyz' 2025-08-31T10:10:29,924 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monB_HW30.xyz' 2025-08-31T10:10:29,925 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_dim_HW30.xyz' 2025-08-31T10:10:29,926 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monA_HW30.xyz' 2025-08-31T10:10:29,927 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monB_HW30.xyz' 2025-08-31T10:10:29,928 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_dim_HW30.xyz' 2025-08-31T10:10:29,929 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monA_HW30.xyz' 2025-08-31T10:10:29,931 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monB_HW30.xyz' 2025-08-31T10:10:29,932 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_dim_HW30.xyz' 2025-08-31T10:10:29,933 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monA_HW30.xyz' 2025-08-31T10:10:29,934 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monB_HW30.xyz' 2025-08-31T10:10:29,935 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_dim_HW30.xyz' 2025-08-31T10:10:29,936 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monA_HW30.xyz' 2025-08-31T10:10:29,937 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monB_HW30.xyz' 2025-08-31T10:10:29,939 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_dim_HW30.xyz' 2025-08-31T10:10:29,940 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monA_HW30.xyz' 2025-08-31T10:10:29,941 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monB_HW30.xyz' 2025-08-31T10:10:29,942 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_dim_HW30.xyz' 2025-08-31T10:10:29,943 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monA_HW30.xyz' 2025-08-31T10:10:29,944 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monB_HW30.xyz' 2025-08-31T10:10:29,946 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_dim_HW30.xyz' 2025-08-31T10:10:29,947 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monA_HW30.xyz' 2025-08-31T10:10:29,948 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monB_HW30.xyz' 2025-08-31T10:10:29,949 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_dim_HW30.xyz' 2025-08-31T10:10:29,950 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monA_HW30.xyz' 2025-08-31T10:10:29,951 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monB_HW30.xyz' 2025-08-31T10:10:29,953 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_dim_HW30.xyz' 2025-08-31T10:10:29,954 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monA_HW30.xyz' 2025-08-31T10:10:29,955 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monB_HW30.xyz' 2025-08-31T10:10:29,956 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_dim_HW30.xyz' 2025-08-31T10:10:29,957 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monA_HW30.xyz' 2025-08-31T10:10:29,958 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monB_HW30.xyz' 2025-08-31T10:10:29,959 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_dim_HW30.xyz' 2025-08-31T10:10:29,961 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monA_HW30.xyz' 2025-08-31T10:10:29,962 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monB_HW30.xyz' 2025-08-31T10:10:29,963 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_dim_HW30.xyz' 2025-08-31T10:10:29,964 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monA_HW30.xyz' 2025-08-31T10:10:29,965 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monB_HW30.xyz' 2025-08-31T10:10:29,966 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_dim_HW30.xyz' 2025-08-31T10:10:29,967 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monA_HW30.xyz' 2025-08-31T10:10:29,969 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monB_HW30.xyz' 2025-08-31T10:10:29,970 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_dim_HW30.xyz' 2025-08-31T10:10:29,971 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monA_HW30.xyz' 2025-08-31T10:10:29,972 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monB_HW30.xyz' 2025-08-31T10:10:29,973 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_dim_HW30.xyz' 2025-08-31T10:10:29,974 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monA_HW30.xyz' 2025-08-31T10:10:29,976 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monB_HW30.xyz' 2025-08-31T10:10:29,977 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_dim_HW30.xyz' 2025-08-31T10:10:29,978 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monA_HW30.xyz' 2025-08-31T10:10:29,979 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monB_HW30.xyz' 2025-08-31T10:10:29,980 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_dim_HW30.xyz' 2025-08-31T10:10:29,981 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monA_HW30.xyz' 2025-08-31T10:10:29,982 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monB_HW30.xyz' 2025-08-31T10:10:29,983 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_dim_HW30.xyz' 2025-08-31T10:10:29,985 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monA_HW30.xyz' 2025-08-31T10:10:29,986 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monB_HW30.xyz' 2025-08-31T10:10:29,988 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz' 2025-08-31T10:10:29,989 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz' 2025-08-31T10:10:29,990 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz' 2025-08-31T10:10:29,991 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz' 2025-08-31T10:10:29,992 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz' 2025-08-31T10:10:29,994 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz' 2025-08-31T10:10:29,995 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz' 2025-08-31T10:10:29,996 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz' 2025-08-31T10:10:29,997 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz' 2025-08-31T10:10:29,998 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz' 2025-08-31T10:10:30,000 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz' 2025-08-31T10:10:30,001 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz' 2025-08-31T10:10:30,002 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz' 2025-08-31T10:10:30,003 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz' 2025-08-31T10:10:30,004 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz' 2025-08-31T10:10:30,005 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz' 2025-08-31T10:10:30,006 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz' 2025-08-31T10:10:30,007 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz' 2025-08-31T10:10:30,008 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz' 2025-08-31T10:10:30,009 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz' 2025-08-31T10:10:30,010 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz' 2025-08-31T10:10:30,011 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz' 2025-08-31T10:10:30,012 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz' 2025-08-31T10:10:30,013 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz' 2025-08-31T10:10:30,014 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz' 2025-08-31T10:10:30,015 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz' 2025-08-31T10:10:30,017 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz' 2025-08-31T10:10:30,018 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz' 2025-08-31T10:10:30,019 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz' 2025-08-31T10:10:30,020 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz' 2025-08-31T10:10:30,021 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz' 2025-08-31T10:10:30,022 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz' 2025-08-31T10:10:30,023 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz' 2025-08-31T10:10:30,025 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz' 2025-08-31T10:10:30,027 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz' 2025-08-31T10:10:30,028 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz' 2025-08-31T10:10:30,029 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz' 2025-08-31T10:10:30,030 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz' 2025-08-31T10:10:30,031 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz' 2025-08-31T10:10:30,032 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz' 2025-08-31T10:10:30,033 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz' 2025-08-31T10:10:30,034 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz' 2025-08-31T10:10:30,035 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz' 2025-08-31T10:10:30,036 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz' 2025-08-31T10:10:30,037 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz' 2025-08-31T10:10:30,039 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz' 2025-08-31T10:10:30,040 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz' 2025-08-31T10:10:30,041 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz' 2025-08-31T10:10:30,042 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz' 2025-08-31T10:10:30,043 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz' 2025-08-31T10:10:30,044 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz' 2025-08-31T10:10:30,045 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz' 2025-08-31T10:10:30,046 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz' 2025-08-31T10:10:30,047 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz' 2025-08-31T10:10:30,048 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz' 2025-08-31T10:10:30,049 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz' 2025-08-31T10:10:30,050 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz' 2025-08-31T10:10:30,051 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz' 2025-08-31T10:10:30,052 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz' 2025-08-31T10:10:30,054 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz' 2025-08-31T10:10:30,055 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz' 2025-08-31T10:10:30,056 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz' 2025-08-31T10:10:30,057 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz' 2025-08-31T10:10:30,058 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz' 2025-08-31T10:10:30,059 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz' 2025-08-31T10:10:30,060 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz' 2025-08-31T10:10:30,062 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz' 2025-08-31T10:10:30,063 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz' 2025-08-31T10:10:30,064 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz' 2025-08-31T10:10:30,065 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz' 2025-08-31T10:10:30,066 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz' 2025-08-31T10:10:30,067 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz' 2025-08-31T10:10:30,068 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz' 2025-08-31T10:10:30,069 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz' 2025-08-31T10:10:30,070 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz' 2025-08-31T10:10:30,071 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz' 2025-08-31T10:10:30,072 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz' 2025-08-31T10:10:30,074 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz' 2025-08-31T10:10:30,075 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz' 2025-08-31T10:10:30,076 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz' 2025-08-31T10:10:30,077 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz' 2025-08-31T10:10:30,078 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz' 2025-08-31T10:10:30,079 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz' 2025-08-31T10:10:30,080 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz' 2025-08-31T10:10:30,081 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz' 2025-08-31T10:10:30,082 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz' 2025-08-31T10:10:30,083 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz' 2025-08-31T10:10:30,084 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz' 2025-08-31T10:10:30,085 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz' 2025-08-31T10:10:30,087 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz' 2025-08-31T10:10:30,088 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz' 2025-08-31T10:10:30,089 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz' 2025-08-31T10:10:30,091 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz' 2025-08-31T10:10:30,092 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz' 2025-08-31T10:10:30,093 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz' 2025-08-31T10:10:30,094 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz' 2025-08-31T10:10:30,095 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz' 2025-08-31T10:10:30,096 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz' 2025-08-31T10:10:30,097 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz' 2025-08-31T10:10:30,098 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz' 2025-08-31T10:10:30,099 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz' 2025-08-31T10:10:30,100 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz' 2025-08-31T10:10:30,101 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz' 2025-08-31T10:10:30,102 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz' 2025-08-31T10:10:30,103 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz' 2025-08-31T10:10:30,104 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz' 2025-08-31T10:10:30,105 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz' 2025-08-31T10:10:30,106 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz' 2025-08-31T10:10:30,108 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz' 2025-08-31T10:10:30,109 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz' 2025-08-31T10:10:30,110 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz' 2025-08-31T10:10:30,111 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz' 2025-08-31T10:10:30,112 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz' 2025-08-31T10:10:30,113 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz' 2025-08-31T10:10:30,114 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz' 2025-08-31T10:10:30,115 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz' 2025-08-31T10:10:30,116 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz' 2025-08-31T10:10:30,117 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz' 2025-08-31T10:10:30,118 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz' 2025-08-31T10:10:30,119 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz' 2025-08-31T10:10:30,120 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz' 2025-08-31T10:10:30,121 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz' 2025-08-31T10:10:30,122 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz' 2025-08-31T10:10:30,126 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz' 2025-08-31T10:10:30,128 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz' 2025-08-31T10:10:30,129 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz' 2025-08-31T10:10:30,130 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz' 2025-08-31T10:10:30,131 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz' 2025-08-31T10:10:30,132 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz' 2025-08-31T10:10:30,133 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz' 2025-08-31T10:10:30,134 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz' 2025-08-31T10:10:30,135 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz' 2025-08-31T10:10:30,137 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz' 2025-08-31T10:10:30,138 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz' 2025-08-31T10:10:30,139 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz' 2025-08-31T10:10:30,140 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz' 2025-08-31T10:10:30,141 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz' 2025-08-31T10:10:30,142 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz' 2025-08-31T10:10:30,143 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz' 2025-08-31T10:10:30,144 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz' 2025-08-31T10:10:30,145 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz' 2025-08-31T10:10:30,146 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz' 2025-08-31T10:10:30,148 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz' 2025-08-31T10:10:30,149 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz' 2025-08-31T10:10:30,150 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz' 2025-08-31T10:10:30,151 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz' 2025-08-31T10:10:30,152 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz' 2025-08-31T10:10:30,153 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz' 2025-08-31T10:10:30,154 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz' 2025-08-31T10:10:30,155 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz' 2025-08-31T10:10:30,156 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz' 2025-08-31T10:10:30,157 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz' 2025-08-31T10:10:30,158 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz' 2025-08-31T10:10:30,159 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz' 2025-08-31T10:10:30,160 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz' 2025-08-31T10:10:30,161 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz' 2025-08-31T10:10:30,162 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz' 2025-08-31T10:10:30,164 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz' 2025-08-31T10:10:30,165 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz' 2025-08-31T10:10:30,166 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz' 2025-08-31T10:10:30,167 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz' 2025-08-31T10:10:30,168 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz' 2025-08-31T10:10:30,169 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz' 2025-08-31T10:10:30,170 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz' 2025-08-31T10:10:30,171 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz' 2025-08-31T10:10:30,172 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz' 2025-08-31T10:10:30,174 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz' 2025-08-31T10:10:30,175 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz' 2025-08-31T10:10:30,176 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz' 2025-08-31T10:10:30,177 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz' 2025-08-31T10:10:30,178 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz' 2025-08-31T10:10:30,179 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz' 2025-08-31T10:10:30,180 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz' 2025-08-31T10:10:30,181 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz' 2025-08-31T10:10:30,183 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz' 2025-08-31T10:10:30,184 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz' 2025-08-31T10:10:30,185 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz' 2025-08-31T10:10:30,186 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz' 2025-08-31T10:10:30,187 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz' 2025-08-31T10:10:30,189 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz' 2025-08-31T10:10:30,189 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz' 2025-08-31T10:10:30,191 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz' 2025-08-31T10:10:30,192 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz' 2025-08-31T10:10:30,193 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz' 2025-08-31T10:10:30,194 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz' 2025-08-31T10:10:30,195 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz' 2025-08-31T10:10:30,196 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz' 2025-08-31T10:10:30,197 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz' 2025-08-31T10:10:30,198 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz' 2025-08-31T10:10:30,199 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz' 2025-08-31T10:10:30,200 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz' 2025-08-31T10:10:30,201 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz' 2025-08-31T10:10:30,202 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz' 2025-08-31T10:10:30,203 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz' 2025-08-31T10:10:30,204 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz' 2025-08-31T10:10:30,206 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz' 2025-08-31T10:10:30,207 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz' 2025-08-31T10:10:30,208 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz' 2025-08-31T10:10:30,209 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz' 2025-08-31T10:10:30,210 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz' 2025-08-31T10:10:30,211 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz' 2025-08-31T10:10:30,212 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz' 2025-08-31T10:10:30,213 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz' 2025-08-31T10:10:30,214 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz' 2025-08-31T10:10:30,215 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz' 2025-08-31T10:10:30,216 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz' 2025-08-31T10:10:30,217 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz' 2025-08-31T10:10:30,219 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz' 2025-08-31T10:10:30,220 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz' 2025-08-31T10:10:30,221 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz' 2025-08-31T10:10:30,222 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz' 2025-08-31T10:10:30,223 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz' 2025-08-31T10:10:30,224 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz' 2025-08-31T10:10:30,225 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz' 2025-08-31T10:10:30,226 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz' 2025-08-31T10:10:30,227 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz' 2025-08-31T10:10:30,228 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz' 2025-08-31T10:10:30,230 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz' 2025-08-31T10:10:30,231 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz' 2025-08-31T10:10:30,232 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz' 2025-08-31T10:10:30,233 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz' 2025-08-31T10:10:30,234 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz' 2025-08-31T10:10:30,235 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz' 2025-08-31T10:10:30,236 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz' 2025-08-31T10:10:30,237 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz' 2025-08-31T10:10:30,238 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz' 2025-08-31T10:10:30,239 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz' 2025-08-31T10:10:30,240 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz' 2025-08-31T10:10:30,241 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz' 2025-08-31T10:10:30,242 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz' 2025-08-31T10:10:30,243 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz' 2025-08-31T10:10:30,245 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz' 2025-08-31T10:10:30,246 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz' 2025-08-31T10:10:30,247 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz' 2025-08-31T10:10:30,248 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz' 2025-08-31T10:10:30,250 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz' 2025-08-31T10:10:30,251 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz' 2025-08-31T10:10:30,252 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz' 2025-08-31T10:10:30,253 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz' 2025-08-31T10:10:30,254 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz' 2025-08-31T10:10:30,256 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz' 2025-08-31T10:10:30,257 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz' 2025-08-31T10:10:30,258 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz' 2025-08-31T10:10:30,259 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz' 2025-08-31T10:10:30,260 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz' 2025-08-31T10:10:30,262 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz' 2025-08-31T10:10:30,263 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz' 2025-08-31T10:10:30,264 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz' 2025-08-31T10:10:30,266 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz' 2025-08-31T10:10:30,267 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz' 2025-08-31T10:10:30,268 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz' 2025-08-31T10:10:30,269 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz' 2025-08-31T10:10:30,272 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz' 2025-08-31T10:10:30,274 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz' 2025-08-31T10:10:30,275 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz' 2025-08-31T10:10:30,277 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz' 2025-08-31T10:10:30,278 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz' 2025-08-31T10:10:30,280 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz' 2025-08-31T10:10:30,281 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz' 2025-08-31T10:10:30,282 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz' 2025-08-31T10:10:30,284 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz' 2025-08-31T10:10:30,285 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz' 2025-08-31T10:10:30,287 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz' 2025-08-31T10:10:30,288 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz' 2025-08-31T10:10:30,289 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz' 2025-08-31T10:10:30,291 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz' 2025-08-31T10:10:30,292 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz' 2025-08-31T10:10:30,293 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz' 2025-08-31T10:10:30,295 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz' 2025-08-31T10:10:30,296 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz' 2025-08-31T10:10:30,297 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz' 2025-08-31T10:10:30,299 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz' 2025-08-31T10:10:30,300 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz' 2025-08-31T10:10:30,301 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz' 2025-08-31T10:10:30,303 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz' 2025-08-31T10:10:30,304 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz' 2025-08-31T10:10:30,305 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz' 2025-08-31T10:10:30,306 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz' 2025-08-31T10:10:30,308 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz' 2025-08-31T10:10:30,309 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz' 2025-08-31T10:10:30,310 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz' 2025-08-31T10:10:30,311 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz' 2025-08-31T10:10:30,313 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz' 2025-08-31T10:10:30,314 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz' 2025-08-31T10:10:30,315 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz' 2025-08-31T10:10:30,316 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz' 2025-08-31T10:10:30,318 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz' 2025-08-31T10:10:30,319 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz' 2025-08-31T10:10:30,320 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz' 2025-08-31T10:10:30,321 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz' 2025-08-31T10:10:30,323 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz' 2025-08-31T10:10:30,324 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz' 2025-08-31T10:10:30,325 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz' 2025-08-31T10:10:30,327 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz' 2025-08-31T10:10:30,328 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz' 2025-08-31T10:10:30,329 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz' 2025-08-31T10:10:30,331 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz' 2025-08-31T10:10:30,332 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz' 2025-08-31T10:10:30,334 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz' 2025-08-31T10:10:30,335 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz' 2025-08-31T10:10:30,336 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz' 2025-08-31T10:10:30,338 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz' 2025-08-31T10:10:30,339 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz' 2025-08-31T10:10:30,340 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz' 2025-08-31T10:10:30,346 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_dim_NBC10.xyz' 2025-08-31T10:10:30,347 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monA_NBC10.xyz' 2025-08-31T10:10:30,348 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monB_NBC10.xyz' 2025-08-31T10:10:30,349 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/102_BzBz_PD32-0p4_dim_NBC10.xyz' 2025-08-31T10:10:30,350 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/103_BzBz_PD32-0p6_dim_NBC10.xyz' 2025-08-31T10:10:30,352 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/104_BzBz_PD32-0p8_dim_NBC10.xyz' 2025-08-31T10:10:30,353 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/105_BzBz_PD32-1p0_dim_NBC10.xyz' 2025-08-31T10:10:30,354 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/106_BzBz_PD32-1p2_dim_NBC10.xyz' 2025-08-31T10:10:30,355 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/107_BzBz_PD32-1p4_dim_NBC10.xyz' 2025-08-31T10:10:30,356 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/108_BzBz_PD32-1p5_dim_NBC10.xyz' 2025-08-31T10:10:30,357 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/109_BzBz_PD32-1p6_dim_NBC10.xyz' 2025-08-31T10:10:30,358 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/110_BzBz_PD32-1p7_dim_NBC10.xyz' 2025-08-31T10:10:30,360 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/111_BzBz_PD32-1p8_dim_NBC10.xyz' 2025-08-31T10:10:30,361 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/112_BzBz_PD32-1p9_dim_NBC10.xyz' 2025-08-31T10:10:30,362 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/113_BzBz_PD32-2p0_dim_NBC10.xyz' 2025-08-31T10:10:30,363 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/114_BzBz_PD32-2p2_dim_NBC10.xyz' 2025-08-31T10:10:30,364 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/115_BzBz_PD32-2p4_dim_NBC10.xyz' 2025-08-31T10:10:30,365 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/116_BzBz_PD32-2p6_dim_NBC10.xyz' 2025-08-31T10:10:30,367 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/117_BzBz_PD32-2p8_dim_NBC10.xyz' 2025-08-31T10:10:30,368 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/118_BzBz_PD32-3p0_dim_NBC10.xyz' 2025-08-31T10:10:30,369 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_dim_NBC10.xyz' 2025-08-31T10:10:30,370 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monA_NBC10.xyz' 2025-08-31T10:10:30,371 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monB_NBC10.xyz' 2025-08-31T10:10:30,372 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/120_BzBz_PD34-0p4_dim_NBC10.xyz' 2025-08-31T10:10:30,374 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/121_BzBz_PD34-0p6_dim_NBC10.xyz' 2025-08-31T10:10:30,375 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/122_BzBz_PD34-0p8_dim_NBC10.xyz' 2025-08-31T10:10:30,376 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/123_BzBz_PD34-1p0_dim_NBC10.xyz' 2025-08-31T10:10:30,378 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/124_BzBz_PD34-1p2_dim_NBC10.xyz' 2025-08-31T10:10:30,379 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/125_BzBz_PD34-1p4_dim_NBC10.xyz' 2025-08-31T10:10:30,380 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/126_BzBz_PD34-1p5_dim_NBC10.xyz' 2025-08-31T10:10:30,382 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/127_BzBz_PD34-1p6_dim_NBC10.xyz' 2025-08-31T10:10:30,383 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/128_BzBz_PD34-1p7_dim_NBC10.xyz' 2025-08-31T10:10:30,384 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/129_BzBz_PD34-1p8_dim_NBC10.xyz' 2025-08-31T10:10:30,386 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/130_BzBz_PD34-1p9_dim_NBC10.xyz' 2025-08-31T10:10:30,387 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/131_BzBz_PD34-2p0_dim_NBC10.xyz' 2025-08-31T10:10:30,388 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/132_BzBz_PD34-2p2_dim_NBC10.xyz' 2025-08-31T10:10:30,389 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/133_BzBz_PD34-2p4_dim_NBC10.xyz' 2025-08-31T10:10:30,390 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/134_BzBz_PD34-2p6_dim_NBC10.xyz' 2025-08-31T10:10:30,391 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/135_BzBz_PD34-2p8_dim_NBC10.xyz' 2025-08-31T10:10:30,392 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/136_BzBz_PD34-3p0_dim_NBC10.xyz' 2025-08-31T10:10:30,394 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_dim_NBC10.xyz' 2025-08-31T10:10:30,395 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monA_NBC10.xyz' 2025-08-31T10:10:30,396 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monB_NBC10.xyz' 2025-08-31T10:10:30,397 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/138_BzBz_PD36-0p4_dim_NBC10.xyz' 2025-08-31T10:10:30,398 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/139_BzBz_PD36-0p6_dim_NBC10.xyz' 2025-08-31T10:10:30,399 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/140_BzBz_PD36-0p8_dim_NBC10.xyz' 2025-08-31T10:10:30,400 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/141_BzBz_PD36-1p0_dim_NBC10.xyz' 2025-08-31T10:10:30,401 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/142_BzBz_PD36-1p2_dim_NBC10.xyz' 2025-08-31T10:10:30,402 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/143_BzBz_PD36-1p4_dim_NBC10.xyz' 2025-08-31T10:10:30,404 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/144_BzBz_PD36-1p5_dim_NBC10.xyz' 2025-08-31T10:10:30,405 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/145_BzBz_PD36-1p6_dim_NBC10.xyz' 2025-08-31T10:10:30,406 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/146_BzBz_PD36-1p7_dim_NBC10.xyz' 2025-08-31T10:10:30,407 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/147_BzBz_PD36-1p8_dim_NBC10.xyz' 2025-08-31T10:10:30,408 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/148_BzBz_PD36-1p9_dim_NBC10.xyz' 2025-08-31T10:10:30,409 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/149_BzBz_PD36-2p0_dim_NBC10.xyz' 2025-08-31T10:10:30,410 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/150_BzBz_PD36-2p2_dim_NBC10.xyz' 2025-08-31T10:10:30,412 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/151_BzBz_PD36-2p4_dim_NBC10.xyz' 2025-08-31T10:10:30,413 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/152_BzBz_PD36-2p6_dim_NBC10.xyz' 2025-08-31T10:10:30,414 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/153_BzBz_PD36-2p8_dim_NBC10.xyz' 2025-08-31T10:10:30,415 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/154_BzBz_PD36-3p0_dim_NBC10.xyz' 2025-08-31T10:10:30,416 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_dim_NBC10.xyz' 2025-08-31T10:10:30,417 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monA_NBC10.xyz' 2025-08-31T10:10:30,419 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monB_NBC10.xyz' 2025-08-31T10:10:30,420 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/156_BzBz_S-3p3_dim_NBC10.xyz' 2025-08-31T10:10:30,421 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/157_BzBz_S-3p4_dim_NBC10.xyz' 2025-08-31T10:10:30,422 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/158_BzBz_S-3p5_dim_NBC10.xyz' 2025-08-31T10:10:30,423 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/159_BzBz_S-3p6_dim_NBC10.xyz' 2025-08-31T10:10:30,425 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/160_BzBz_S-3p7_dim_NBC10.xyz' 2025-08-31T10:10:30,426 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/161_BzBz_S-3p8_dim_NBC10.xyz' 2025-08-31T10:10:30,427 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/162_BzBz_S-3p9_dim_NBC10.xyz' 2025-08-31T10:10:30,428 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/163_BzBz_S-4p0_dim_NBC10.xyz' 2025-08-31T10:10:30,430 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/164_BzBz_S-4p1_dim_NBC10.xyz' 2025-08-31T10:10:30,431 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/165_BzBz_S-4p2_dim_NBC10.xyz' 2025-08-31T10:10:30,432 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/166_BzBz_S-4p5_dim_NBC10.xyz' 2025-08-31T10:10:30,433 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/167_BzBz_S-5p0_dim_NBC10.xyz' 2025-08-31T10:10:30,434 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/168_BzBz_S-5p5_dim_NBC10.xyz' 2025-08-31T10:10:30,436 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/169_BzBz_S-6p0_dim_NBC10.xyz' 2025-08-31T10:10:30,437 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/170_BzBz_S-6p5_dim_NBC10.xyz' 2025-08-31T10:10:30,438 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/171_BzBz_S-10p0_dim_NBC10.xyz' 2025-08-31T10:10:30,440 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_dim_NBC10.xyz' 2025-08-31T10:10:30,441 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monA_NBC10.xyz' 2025-08-31T10:10:30,442 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monB_NBC10.xyz' 2025-08-31T10:10:30,443 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/173_BzBz_T-4p5_dim_NBC10.xyz' 2025-08-31T10:10:30,445 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/174_BzBz_T-4p6_dim_NBC10.xyz' 2025-08-31T10:10:30,446 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/175_BzBz_T-4p7_dim_NBC10.xyz' 2025-08-31T10:10:30,447 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/176_BzBz_T-4p8_dim_NBC10.xyz' 2025-08-31T10:10:30,448 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/177_BzBz_T-4p9_dim_NBC10.xyz' 2025-08-31T10:10:30,450 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/178_BzBz_T-5p0_dim_NBC10.xyz' 2025-08-31T10:10:30,451 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/179_BzBz_T-5p1_dim_NBC10.xyz' 2025-08-31T10:10:30,452 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/180_BzBz_T-5p2_dim_NBC10.xyz' 2025-08-31T10:10:30,453 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/181_BzBz_T-5p3_dim_NBC10.xyz' 2025-08-31T10:10:30,454 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/182_BzBz_T-5p4_dim_NBC10.xyz' 2025-08-31T10:10:30,455 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/183_BzBz_T-5p5_dim_NBC10.xyz' 2025-08-31T10:10:30,456 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/184_BzBz_T-5p6_dim_NBC10.xyz' 2025-08-31T10:10:30,458 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/185_BzBz_T-6p0_dim_NBC10.xyz' 2025-08-31T10:10:30,459 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/186_BzBz_T-6p5_dim_NBC10.xyz' 2025-08-31T10:10:30,460 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/187_BzBz_T-7p0_dim_NBC10.xyz' 2025-08-31T10:10:30,461 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/188_BzBz_T-7p5_dim_NBC10.xyz' 2025-08-31T10:10:30,463 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/189_BzBz_T-8p0_dim_NBC10.xyz' 2025-08-31T10:10:30,464 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_dim_NBC10.xyz' 2025-08-31T10:10:30,465 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monA_NBC10.xyz' 2025-08-31T10:10:30,466 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monB_NBC10.xyz' 2025-08-31T10:10:30,468 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/191_BzH2S-3p4_dim_NBC10.xyz' 2025-08-31T10:10:30,469 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/192_BzH2S-3p5_dim_NBC10.xyz' 2025-08-31T10:10:30,470 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/193_BzH2S-3p6_dim_NBC10.xyz' 2025-08-31T10:10:30,471 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/194_BzH2S-3p7_dim_NBC10.xyz' 2025-08-31T10:10:30,472 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/195_BzH2S-3p8_dim_NBC10.xyz' 2025-08-31T10:10:30,475 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/196_BzH2S-3p9_dim_NBC10.xyz' 2025-08-31T10:10:30,477 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/197_BzH2S-4p0_dim_NBC10.xyz' 2025-08-31T10:10:30,478 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/198_BzH2S-4p1_dim_NBC10.xyz' 2025-08-31T10:10:30,479 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/199_BzH2S-4p2_dim_NBC10.xyz' 2025-08-31T10:10:30,480 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz' 2025-08-31T10:10:30,481 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/201_BzH2S-4p75_dim_NBC10.xyz' 2025-08-31T10:10:30,482 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/202_BzH2S-5p0_dim_NBC10.xyz' 2025-08-31T10:10:30,484 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/203_BzH2S-5p25_dim_NBC10.xyz' 2025-08-31T10:10:30,485 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/204_BzH2S-5p5_dim_NBC10.xyz' 2025-08-31T10:10:30,486 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/205_BzH2S-6p0_dim_NBC10.xyz' 2025-08-31T10:10:30,487 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/206_BzH2S-6p5_dim_NBC10.xyz' 2025-08-31T10:10:30,489 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/207_BzH2S-7p0_dim_NBC10.xyz' 2025-08-31T10:10:30,490 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/208_BzH2S-7p5_dim_NBC10.xyz' 2025-08-31T10:10:30,491 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_dim_NBC10.xyz' 2025-08-31T10:10:30,492 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz' 2025-08-31T10:10:30,493 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monB_NBC10.xyz' 2025-08-31T10:10:30,495 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/210_BzMe-3p3_dim_NBC10.xyz' 2025-08-31T10:10:30,496 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/211_BzMe-3p4_dim_NBC10.xyz' 2025-08-31T10:10:30,497 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/212_BzMe-3p5_dim_NBC10.xyz' 2025-08-31T10:10:30,498 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/213_BzMe-3p6_dim_NBC10.xyz' 2025-08-31T10:10:30,499 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz' 2025-08-31T10:10:30,501 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz' 2025-08-31T10:10:30,502 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/216_BzMe-3p9_dim_NBC10.xyz' 2025-08-31T10:10:30,503 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/217_BzMe-4p0_dim_NBC10.xyz' 2025-08-31T10:10:30,504 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/218_BzMe-4p1_dim_NBC10.xyz' 2025-08-31T10:10:30,505 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/219_BzMe-4p2_dim_NBC10.xyz' 2025-08-31T10:10:30,506 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/220_BzMe-4p4_dim_NBC10.xyz' 2025-08-31T10:10:30,507 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/221_BzMe-4p6_dim_NBC10.xyz' 2025-08-31T10:10:30,509 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/222_BzMe-4p8_dim_NBC10.xyz' 2025-08-31T10:10:30,510 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/223_BzMe-5p0_dim_NBC10.xyz' 2025-08-31T10:10:30,511 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz' 2025-08-31T10:10:30,512 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/225_BzMe-5p4_dim_NBC10.xyz' 2025-08-31T10:10:30,513 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/226_BzMe-5p6_dim_NBC10.xyz' 2025-08-31T10:10:30,515 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/227_BzMe-6p0_dim_NBC10.xyz' 2025-08-31T10:10:30,516 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_dim_NBC10.xyz' 2025-08-31T10:10:30,517 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monA_NBC10.xyz' 2025-08-31T10:10:30,518 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz' 2025-08-31T10:10:30,519 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/229_MeMe-3p3_dim_NBC10.xyz' 2025-08-31T10:10:30,520 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/230_MeMe-3p4_dim_NBC10.xyz' 2025-08-31T10:10:30,522 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/231_MeMe-3p5_dim_NBC10.xyz' 2025-08-31T10:10:30,523 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/232_MeMe-3p6_dim_NBC10.xyz' 2025-08-31T10:10:30,526 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/233_MeMe-3p7_dim_NBC10.xyz' 2025-08-31T10:10:30,528 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/234_MeMe-3p8_dim_NBC10.xyz' 2025-08-31T10:10:30,530 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/235_MeMe-3p9_dim_NBC10.xyz' 2025-08-31T10:10:30,532 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/236_MeMe-4p0_dim_NBC10.xyz' 2025-08-31T10:10:30,533 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/237_MeMe-4p1_dim_NBC10.xyz' 2025-08-31T10:10:30,535 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/238_MeMe-4p2_dim_NBC10.xyz' 2025-08-31T10:10:30,536 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/239_MeMe-4p3_dim_NBC10.xyz' 2025-08-31T10:10:30,538 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/240_MeMe-4p4_dim_NBC10.xyz' 2025-08-31T10:10:30,539 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/241_MeMe-4p6_dim_NBC10.xyz' 2025-08-31T10:10:30,540 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/242_MeMe-4p8_dim_NBC10.xyz' 2025-08-31T10:10:30,541 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/243_MeMe-5p0_dim_NBC10.xyz' 2025-08-31T10:10:30,542 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/244_MeMe-5p4_dim_NBC10.xyz' 2025-08-31T10:10:30,543 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz' 2025-08-31T10:10:30,544 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_dim_NBC10.xyz' 2025-08-31T10:10:30,545 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monA_NBC10.xyz' 2025-08-31T10:10:30,546 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monB_NBC10.xyz' 2025-08-31T10:10:30,547 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/247_PyPy_S2-3p3_dim_NBC10.xyz' 2025-08-31T10:10:30,548 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/248_PyPy_S2-3p4_dim_NBC10.xyz' 2025-08-31T10:10:30,550 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/249_PyPy_S2-3p5_dim_NBC10.xyz' 2025-08-31T10:10:30,551 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/250_PyPy_S2-3p6_dim_NBC10.xyz' 2025-08-31T10:10:30,552 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/251_PyPy_S2-3p7_dim_NBC10.xyz' 2025-08-31T10:10:30,553 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/252_PyPy_S2-3p8_dim_NBC10.xyz' 2025-08-31T10:10:30,554 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/253_PyPy_S2-3p9_dim_NBC10.xyz' 2025-08-31T10:10:30,555 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/254_PyPy_S2-4p0_dim_NBC10.xyz' 2025-08-31T10:10:30,556 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/255_PyPy_S2-4p1_dim_NBC10.xyz' 2025-08-31T10:10:30,558 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/256_PyPy_S2-4p2_dim_NBC10.xyz' 2025-08-31T10:10:30,559 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/257_PyPy_S2-4p3_dim_NBC10.xyz' 2025-08-31T10:10:30,560 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/258_PyPy_S2-4p4_dim_NBC10.xyz' 2025-08-31T10:10:30,561 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/259_PyPy_S2-4p5_dim_NBC10.xyz' 2025-08-31T10:10:30,562 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/260_PyPy_S2-4p7_dim_NBC10.xyz' 2025-08-31T10:10:30,563 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/261_PyPy_S2-5p0_dim_NBC10.xyz' 2025-08-31T10:10:30,564 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/262_PyPy_S2-5p5_dim_NBC10.xyz' 2025-08-31T10:10:30,565 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/263_PyPy_S2-6p0_dim_NBC10.xyz' 2025-08-31T10:10:30,567 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/264_PyPy_S2-6p5_dim_NBC10.xyz' 2025-08-31T10:10:30,568 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/265_PyPy_S2-7p0_dim_NBC10.xyz' 2025-08-31T10:10:30,569 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_dim_NBC10.xyz' 2025-08-31T10:10:30,570 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monA_NBC10.xyz' 2025-08-31T10:10:30,571 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monB_NBC10.xyz' 2025-08-31T10:10:30,572 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/267_PyPy_T3-4p3_dim_NBC10.xyz' 2025-08-31T10:10:30,574 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/268_PyPy_T3-4p5_dim_NBC10.xyz' 2025-08-31T10:10:30,575 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/269_PyPy_T3-4p6_dim_NBC10.xyz' 2025-08-31T10:10:30,576 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/270_PyPy_T3-4p7_dim_NBC10.xyz' 2025-08-31T10:10:30,577 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/271_PyPy_T3-4p8_dim_NBC10.xyz' 2025-08-31T10:10:30,578 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/272_PyPy_T3-4p9_dim_NBC10.xyz' 2025-08-31T10:10:30,579 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/273_PyPy_T3-5p0_dim_NBC10.xyz' 2025-08-31T10:10:30,581 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/274_PyPy_T3-5p1_dim_NBC10.xyz' 2025-08-31T10:10:30,582 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/275_PyPy_T3-5p2_dim_NBC10.xyz' 2025-08-31T10:10:30,583 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/276_PyPy_T3-5p3_dim_NBC10.xyz' 2025-08-31T10:10:30,584 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/277_PyPy_T3-5p4_dim_NBC10.xyz' 2025-08-31T10:10:30,585 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/278_PyPy_T3-5p5_dim_NBC10.xyz' 2025-08-31T10:10:30,586 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/279_PyPy_T3-5p7_dim_NBC10.xyz' 2025-08-31T10:10:30,587 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/280_PyPy_T3-6p0_dim_NBC10.xyz' 2025-08-31T10:10:30,588 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/281_PyPy_T3-6p5_dim_NBC10.xyz' 2025-08-31T10:10:30,589 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/282_PyPy_T3-7p0_dim_NBC10.xyz' 2025-08-31T10:10:30,590 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/283_PyPy_T3-8p0_dim_NBC10.xyz' 2025-08-31T10:10:30,591 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/284_PyPy_T3-9p0_dim_NBC10.xyz' 2025-08-31T10:10:30,593 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz' 2025-08-31T10:10:30,594 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz' 2025-08-31T10:10:30,595 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz' 2025-08-31T10:10:30,597 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz' 2025-08-31T10:10:30,598 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz' 2025-08-31T10:10:30,599 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz' 2025-08-31T10:10:30,600 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz' 2025-08-31T10:10:30,601 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz' 2025-08-31T10:10:30,602 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz' 2025-08-31T10:10:30,603 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz' 2025-08-31T10:10:30,604 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz' 2025-08-31T10:10:30,605 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz' 2025-08-31T10:10:30,606 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz' 2025-08-31T10:10:30,607 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz' 2025-08-31T10:10:30,608 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz' 2025-08-31T10:10:30,610 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz' 2025-08-31T10:10:30,611 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz' 2025-08-31T10:10:30,612 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz' 2025-08-31T10:10:30,613 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz' 2025-08-31T10:10:30,614 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz' 2025-08-31T10:10:30,615 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz' 2025-08-31T10:10:30,618 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz' 2025-08-31T10:10:30,619 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz' 2025-08-31T10:10:30,620 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz' 2025-08-31T10:10:30,621 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz' 2025-08-31T10:10:30,622 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz' 2025-08-31T10:10:30,623 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz' 2025-08-31T10:10:30,624 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz' 2025-08-31T10:10:30,625 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz' 2025-08-31T10:10:30,626 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz' 2025-08-31T10:10:30,628 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz' 2025-08-31T10:10:30,629 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz' 2025-08-31T10:10:30,630 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz' 2025-08-31T10:10:30,631 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz' 2025-08-31T10:10:30,632 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz' 2025-08-31T10:10:30,633 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz' 2025-08-31T10:10:30,634 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz' 2025-08-31T10:10:30,635 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz' 2025-08-31T10:10:30,636 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz' 2025-08-31T10:10:30,637 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz' 2025-08-31T10:10:30,638 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz' 2025-08-31T10:10:30,639 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz' 2025-08-31T10:10:30,640 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_dim_NC15.xyz' 2025-08-31T10:10:30,641 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monA_NC15.xyz' 2025-08-31T10:10:30,642 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monB_NC15.xyz' 2025-08-31T10:10:30,643 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz' 2025-08-31T10:10:30,644 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz' 2025-08-31T10:10:30,645 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz' 2025-08-31T10:10:30,646 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz' 2025-08-31T10:10:30,647 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz' 2025-08-31T10:10:30,648 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz' 2025-08-31T10:10:30,649 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz' 2025-08-31T10:10:30,650 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz' 2025-08-31T10:10:30,651 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz' 2025-08-31T10:10:30,652 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_dim_NC15.xyz' 2025-08-31T10:10:30,653 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monA_NC15.xyz' 2025-08-31T10:10:30,654 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monB_NC15.xyz' 2025-08-31T10:10:30,655 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz' 2025-08-31T10:10:30,657 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz' 2025-08-31T10:10:30,658 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz' 2025-08-31T10:10:30,659 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz' 2025-08-31T10:10:30,660 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz' 2025-08-31T10:10:30,661 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz' 2025-08-31T10:10:30,662 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz' 2025-08-31T10:10:30,663 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz' 2025-08-31T10:10:30,664 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz' 2025-08-31T10:10:30,666 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz' 2025-08-31T10:10:30,668 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz' 2025-08-31T10:10:30,669 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz' 2025-08-31T10:10:30,670 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz' 2025-08-31T10:10:30,671 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz' 2025-08-31T10:10:30,672 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz' 2025-08-31T10:10:30,673 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz' 2025-08-31T10:10:30,674 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz' 2025-08-31T10:10:30,676 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz' 2025-08-31T10:10:30,677 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz' 2025-08-31T10:10:30,678 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz' 2025-08-31T10:10:30,679 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz' 2025-08-31T10:10:30,680 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz' 2025-08-31T10:10:30,681 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz' 2025-08-31T10:10:30,682 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz' 2025-08-31T10:10:30,683 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz' 2025-08-31T10:10:30,684 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz' 2025-08-31T10:10:30,685 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz' 2025-08-31T10:10:30,686 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz' 2025-08-31T10:10:30,687 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz' 2025-08-31T10:10:30,688 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz' 2025-08-31T10:10:30,689 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz' 2025-08-31T10:10:30,690 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz' 2025-08-31T10:10:30,691 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz' 2025-08-31T10:10:30,692 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz' 2025-08-31T10:10:30,693 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz' 2025-08-31T10:10:30,694 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz' 2025-08-31T10:10:30,695 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz' 2025-08-31T10:10:30,696 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz' 2025-08-31T10:10:30,698 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz' 2025-08-31T10:10:30,699 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz' 2025-08-31T10:10:30,700 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz' 2025-08-31T10:10:30,701 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz' 2025-08-31T10:10:30,702 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz' 2025-08-31T10:10:30,703 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz' 2025-08-31T10:10:30,704 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz' 2025-08-31T10:10:30,705 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz' 2025-08-31T10:10:30,706 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz' 2025-08-31T10:10:30,708 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz' 2025-08-31T10:10:30,709 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz' 2025-08-31T10:10:30,710 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz' 2025-08-31T10:10:30,711 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz' 2025-08-31T10:10:30,712 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz' 2025-08-31T10:10:30,713 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz' 2025-08-31T10:10:30,714 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz' 2025-08-31T10:10:30,716 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz' 2025-08-31T10:10:30,717 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz' 2025-08-31T10:10:30,718 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz' 2025-08-31T10:10:30,720 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz' 2025-08-31T10:10:30,721 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz' 2025-08-31T10:10:30,722 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz' 2025-08-31T10:10:30,723 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz' 2025-08-31T10:10:30,724 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz' 2025-08-31T10:10:30,725 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz' 2025-08-31T10:10:30,726 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz' 2025-08-31T10:10:30,728 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz' 2025-08-31T10:10:30,729 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz' 2025-08-31T10:10:30,730 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz' 2025-08-31T10:10:30,731 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz' 2025-08-31T10:10:30,732 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz' 2025-08-31T10:10:30,733 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz' 2025-08-31T10:10:30,734 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz' 2025-08-31T10:10:30,735 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz' 2025-08-31T10:10:30,736 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz' 2025-08-31T10:10:30,738 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz' 2025-08-31T10:10:30,739 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz' 2025-08-31T10:10:30,740 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz' 2025-08-31T10:10:30,741 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz' 2025-08-31T10:10:30,742 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz' 2025-08-31T10:10:30,743 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz' 2025-08-31T10:10:30,745 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz' 2025-08-31T10:10:30,746 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz' 2025-08-31T10:10:30,747 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz' 2025-08-31T10:10:30,748 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz' 2025-08-31T10:10:30,749 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz' 2025-08-31T10:10:30,750 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz' 2025-08-31T10:10:30,752 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz' 2025-08-31T10:10:30,753 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz' 2025-08-31T10:10:30,755 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz' 2025-08-31T10:10:30,756 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz' 2025-08-31T10:10:30,757 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz' 2025-08-31T10:10:30,758 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz' 2025-08-31T10:10:30,759 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz' 2025-08-31T10:10:30,760 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz' 2025-08-31T10:10:30,762 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz' 2025-08-31T10:10:30,763 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz' 2025-08-31T10:10:30,764 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz' 2025-08-31T10:10:30,766 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz' 2025-08-31T10:10:30,767 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz' 2025-08-31T10:10:30,768 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz' 2025-08-31T10:10:30,769 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz' 2025-08-31T10:10:30,770 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz' 2025-08-31T10:10:30,772 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz' 2025-08-31T10:10:30,773 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz' 2025-08-31T10:10:30,774 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz' 2025-08-31T10:10:30,775 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz' 2025-08-31T10:10:30,776 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz' 2025-08-31T10:10:30,777 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz' 2025-08-31T10:10:30,778 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz' 2025-08-31T10:10:30,779 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz' 2025-08-31T10:10:30,790 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz' 2025-08-31T10:10:30,791 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz' 2025-08-31T10:10:30,792 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz' 2025-08-31T10:10:30,793 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz' 2025-08-31T10:10:30,794 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz' 2025-08-31T10:10:30,795 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz' 2025-08-31T10:10:30,796 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz' 2025-08-31T10:10:30,797 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz' 2025-08-31T10:10:30,798 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz' 2025-08-31T10:10:30,799 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz' 2025-08-31T10:10:30,800 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz' 2025-08-31T10:10:30,801 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz' 2025-08-31T10:10:30,802 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz' 2025-08-31T10:10:30,803 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz' 2025-08-31T10:10:30,804 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz' 2025-08-31T10:10:30,805 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz' 2025-08-31T10:10:30,806 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz' 2025-08-31T10:10:30,807 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz' 2025-08-31T10:10:30,809 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz' 2025-08-31T10:10:30,810 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz' 2025-08-31T10:10:30,811 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz' 2025-08-31T10:10:30,812 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz' 2025-08-31T10:10:30,813 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz' 2025-08-31T10:10:30,814 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz' 2025-08-31T10:10:30,815 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz' 2025-08-31T10:10:30,816 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz' 2025-08-31T10:10:30,818 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz' 2025-08-31T10:10:30,819 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz' 2025-08-31T10:10:30,820 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz' 2025-08-31T10:10:30,821 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz' 2025-08-31T10:10:30,822 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz' 2025-08-31T10:10:30,823 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz' 2025-08-31T10:10:30,824 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz' 2025-08-31T10:10:30,825 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz' 2025-08-31T10:10:30,826 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz' 2025-08-31T10:10:30,827 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz' 2025-08-31T10:10:30,829 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz' 2025-08-31T10:10:30,830 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz' 2025-08-31T10:10:30,831 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz' 2025-08-31T10:10:30,832 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz' 2025-08-31T10:10:30,834 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz' 2025-08-31T10:10:30,835 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz' 2025-08-31T10:10:30,836 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz' 2025-08-31T10:10:30,837 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz' 2025-08-31T10:10:30,838 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz' 2025-08-31T10:10:30,839 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz' 2025-08-31T10:10:30,840 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz' 2025-08-31T10:10:30,842 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz' 2025-08-31T10:10:30,843 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz' 2025-08-31T10:10:30,844 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz' 2025-08-31T10:10:30,845 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz' 2025-08-31T10:10:30,846 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz' 2025-08-31T10:10:30,847 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz' 2025-08-31T10:10:30,848 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz' 2025-08-31T10:10:30,849 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz' 2025-08-31T10:10:30,850 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz' 2025-08-31T10:10:30,851 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz' 2025-08-31T10:10:30,852 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz' 2025-08-31T10:10:30,853 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz' 2025-08-31T10:10:30,854 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz' 2025-08-31T10:10:30,855 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz' 2025-08-31T10:10:30,856 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz' 2025-08-31T10:10:30,857 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz' 2025-08-31T10:10:30,858 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz' 2025-08-31T10:10:30,859 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz' 2025-08-31T10:10:30,860 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz' 2025-08-31T10:10:30,862 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz' 2025-08-31T10:10:30,863 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz' 2025-08-31T10:10:30,864 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz' 2025-08-31T10:10:30,865 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz' 2025-08-31T10:10:30,866 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz' 2025-08-31T10:10:30,867 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz' 2025-08-31T10:10:30,868 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz' 2025-08-31T10:10:30,869 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz' 2025-08-31T10:10:30,870 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz' 2025-08-31T10:10:30,871 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz' 2025-08-31T10:10:30,873 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz' 2025-08-31T10:10:30,874 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz' 2025-08-31T10:10:30,875 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz' 2025-08-31T10:10:30,876 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz' 2025-08-31T10:10:30,877 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz' 2025-08-31T10:10:30,878 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz' 2025-08-31T10:10:30,879 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz' 2025-08-31T10:10:30,880 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz' 2025-08-31T10:10:30,881 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz' 2025-08-31T10:10:30,882 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz' 2025-08-31T10:10:30,883 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz' 2025-08-31T10:10:30,884 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz' 2025-08-31T10:10:30,885 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz' 2025-08-31T10:10:30,886 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz' 2025-08-31T10:10:30,887 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz' 2025-08-31T10:10:30,888 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz' 2025-08-31T10:10:30,889 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz' 2025-08-31T10:10:30,890 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz' 2025-08-31T10:10:30,891 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz' 2025-08-31T10:10:30,892 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz' 2025-08-31T10:10:30,893 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz' 2025-08-31T10:10:30,894 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz' 2025-08-31T10:10:30,895 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz' 2025-08-31T10:10:30,896 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz' 2025-08-31T10:10:30,897 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz' 2025-08-31T10:10:30,899 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz' 2025-08-31T10:10:30,900 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz' 2025-08-31T10:10:30,901 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz' 2025-08-31T10:10:30,902 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz' 2025-08-31T10:10:30,903 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz' 2025-08-31T10:10:30,904 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz' 2025-08-31T10:10:30,905 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz' 2025-08-31T10:10:30,906 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz' 2025-08-31T10:10:30,907 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz' 2025-08-31T10:10:30,908 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz' 2025-08-31T10:10:30,909 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz' 2025-08-31T10:10:30,911 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz' 2025-08-31T10:10:30,912 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz' 2025-08-31T10:10:30,913 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz' 2025-08-31T10:10:30,914 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz' 2025-08-31T10:10:30,915 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz' 2025-08-31T10:10:30,916 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz' 2025-08-31T10:10:30,917 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz' 2025-08-31T10:10:30,918 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz' 2025-08-31T10:10:30,919 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz' 2025-08-31T10:10:30,920 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz' 2025-08-31T10:10:30,921 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz' 2025-08-31T10:10:30,923 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz' 2025-08-31T10:10:30,924 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz' 2025-08-31T10:10:30,925 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz' 2025-08-31T10:10:30,926 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz' 2025-08-31T10:10:30,927 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz' 2025-08-31T10:10:30,928 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz' 2025-08-31T10:10:30,929 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz' 2025-08-31T10:10:30,930 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz' 2025-08-31T10:10:30,931 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz' 2025-08-31T10:10:30,932 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz' 2025-08-31T10:10:30,933 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz' 2025-08-31T10:10:30,934 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz' 2025-08-31T10:10:30,935 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz' 2025-08-31T10:10:30,936 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz' 2025-08-31T10:10:30,937 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz' 2025-08-31T10:10:30,938 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz' 2025-08-31T10:10:30,939 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz' 2025-08-31T10:10:30,940 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz' 2025-08-31T10:10:30,941 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz' 2025-08-31T10:10:30,942 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz' 2025-08-31T10:10:30,943 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz' 2025-08-31T10:10:30,944 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz' 2025-08-31T10:10:30,946 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz' 2025-08-31T10:10:30,947 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz' 2025-08-31T10:10:30,948 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz' 2025-08-31T10:10:30,949 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz' 2025-08-31T10:10:30,950 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz' 2025-08-31T10:10:30,951 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz' 2025-08-31T10:10:30,952 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz' 2025-08-31T10:10:30,953 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz' 2025-08-31T10:10:30,954 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz' 2025-08-31T10:10:30,955 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz' 2025-08-31T10:10:30,956 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz' 2025-08-31T10:10:30,957 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz' 2025-08-31T10:10:30,958 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz' 2025-08-31T10:10:30,959 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz' 2025-08-31T10:10:30,960 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz' 2025-08-31T10:10:30,961 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz' 2025-08-31T10:10:30,963 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz' 2025-08-31T10:10:30,964 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz' 2025-08-31T10:10:30,965 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz' 2025-08-31T10:10:30,966 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz' 2025-08-31T10:10:30,967 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz' 2025-08-31T10:10:30,968 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz' 2025-08-31T10:10:30,969 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz' 2025-08-31T10:10:30,970 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz' 2025-08-31T10:10:30,972 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz' 2025-08-31T10:10:30,973 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz' 2025-08-31T10:10:30,974 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz' 2025-08-31T10:10:30,975 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz' 2025-08-31T10:10:30,976 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz' 2025-08-31T10:10:30,977 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz' 2025-08-31T10:10:30,978 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz' 2025-08-31T10:10:30,979 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz' 2025-08-31T10:10:30,980 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz' 2025-08-31T10:10:30,981 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz' 2025-08-31T10:10:30,981 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz' 2025-08-31T10:10:30,983 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz' 2025-08-31T10:10:30,984 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz' 2025-08-31T10:10:30,985 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz' 2025-08-31T10:10:30,986 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz' 2025-08-31T10:10:30,987 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz' 2025-08-31T10:10:30,988 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz' 2025-08-31T10:10:30,989 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz' 2025-08-31T10:10:30,990 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz' 2025-08-31T10:10:30,991 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz' 2025-08-31T10:10:30,992 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz' 2025-08-31T10:10:30,993 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz' 2025-08-31T10:10:30,994 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz' 2025-08-31T10:10:30,995 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz' 2025-08-31T10:10:30,996 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz' 2025-08-31T10:10:30,998 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz' 2025-08-31T10:10:30,999 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz' 2025-08-31T10:10:31,000 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz' 2025-08-31T10:10:31,001 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz' 2025-08-31T10:10:31,002 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz' 2025-08-31T10:10:31,003 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz' 2025-08-31T10:10:31,004 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz' 2025-08-31T10:10:31,005 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz' 2025-08-31T10:10:31,006 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz' 2025-08-31T10:10:31,008 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz' 2025-08-31T10:10:31,009 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz' 2025-08-31T10:10:31,010 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz' 2025-08-31T10:10:31,011 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz' 2025-08-31T10:10:31,012 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz' 2025-08-31T10:10:31,013 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz' 2025-08-31T10:10:31,014 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz' 2025-08-31T10:10:31,016 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz' 2025-08-31T10:10:31,017 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz' 2025-08-31T10:10:31,018 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz' 2025-08-31T10:10:31,019 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz' 2025-08-31T10:10:31,020 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz' 2025-08-31T10:10:31,021 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz' 2025-08-31T10:10:31,022 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz' 2025-08-31T10:10:31,023 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz' 2025-08-31T10:10:31,024 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz' 2025-08-31T10:10:31,025 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz' 2025-08-31T10:10:31,026 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz' 2025-08-31T10:10:31,027 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz' 2025-08-31T10:10:31,028 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz' 2025-08-31T10:10:31,029 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz' 2025-08-31T10:10:31,030 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz' 2025-08-31T10:10:31,031 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz' 2025-08-31T10:10:31,032 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz' 2025-08-31T10:10:31,033 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz' 2025-08-31T10:10:31,034 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz' 2025-08-31T10:10:31,035 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz' 2025-08-31T10:10:31,036 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz' 2025-08-31T10:10:31,037 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz' 2025-08-31T10:10:31,038 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz' 2025-08-31T10:10:31,039 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz' 2025-08-31T10:10:31,041 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz' 2025-08-31T10:10:31,042 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz' 2025-08-31T10:10:31,043 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz' 2025-08-31T10:10:31,044 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz' 2025-08-31T10:10:31,045 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz' 2025-08-31T10:10:31,046 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz' 2025-08-31T10:10:31,047 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz' 2025-08-31T10:10:31,048 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz' 2025-08-31T10:10:31,049 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz' 2025-08-31T10:10:31,050 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz' 2025-08-31T10:10:31,052 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz' 2025-08-31T10:10:31,053 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz' 2025-08-31T10:10:31,054 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz' 2025-08-31T10:10:31,055 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz' 2025-08-31T10:10:31,056 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz' 2025-08-31T10:10:31,057 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz' 2025-08-31T10:10:31,058 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz' 2025-08-31T10:10:31,059 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz' 2025-08-31T10:10:31,060 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz' 2025-08-31T10:10:31,062 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz' 2025-08-31T10:10:31,063 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz' 2025-08-31T10:10:31,064 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz' 2025-08-31T10:10:31,065 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz' 2025-08-31T10:10:31,066 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz' 2025-08-31T10:10:31,067 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz' 2025-08-31T10:10:31,068 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz' 2025-08-31T10:10:31,069 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz' 2025-08-31T10:10:31,070 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz' 2025-08-31T10:10:31,071 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz' 2025-08-31T10:10:31,072 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz' 2025-08-31T10:10:31,073 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz' 2025-08-31T10:10:31,074 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz' 2025-08-31T10:10:31,075 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz' 2025-08-31T10:10:31,076 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz' 2025-08-31T10:10:31,078 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz' 2025-08-31T10:10:31,079 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz' 2025-08-31T10:10:31,080 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz' 2025-08-31T10:10:31,081 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz' 2025-08-31T10:10:31,083 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz' 2025-08-31T10:10:31,084 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz' 2025-08-31T10:10:31,085 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz' 2025-08-31T10:10:31,086 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz' 2025-08-31T10:10:31,087 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz' 2025-08-31T10:10:31,089 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz' 2025-08-31T10:10:31,090 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz' 2025-08-31T10:10:31,091 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz' 2025-08-31T10:10:31,092 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz' 2025-08-31T10:10:31,093 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz' 2025-08-31T10:10:31,094 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz' 2025-08-31T10:10:31,095 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz' 2025-08-31T10:10:31,096 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz' 2025-08-31T10:10:31,098 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz' 2025-08-31T10:10:31,099 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz' 2025-08-31T10:10:31,100 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz' 2025-08-31T10:10:31,101 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz' 2025-08-31T10:10:31,102 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz' 2025-08-31T10:10:31,103 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz' 2025-08-31T10:10:31,104 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz' 2025-08-31T10:10:31,105 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz' 2025-08-31T10:10:31,107 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz' 2025-08-31T10:10:31,108 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz' 2025-08-31T10:10:31,109 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz' 2025-08-31T10:10:31,110 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz' 2025-08-31T10:10:31,111 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz' 2025-08-31T10:10:31,112 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz' 2025-08-31T10:10:31,113 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz' 2025-08-31T10:10:31,114 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz' 2025-08-31T10:10:31,116 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz' 2025-08-31T10:10:31,117 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz' 2025-08-31T10:10:31,118 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz' 2025-08-31T10:10:31,119 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz' 2025-08-31T10:10:31,120 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz' 2025-08-31T10:10:31,121 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz' 2025-08-31T10:10:31,123 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz' 2025-08-31T10:10:31,124 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz' 2025-08-31T10:10:31,125 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz' 2025-08-31T10:10:31,126 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz' 2025-08-31T10:10:31,128 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz' 2025-08-31T10:10:31,129 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz' 2025-08-31T10:10:31,129 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz' 2025-08-31T10:10:31,131 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz' 2025-08-31T10:10:31,132 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz' 2025-08-31T10:10:31,133 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz' 2025-08-31T10:10:31,134 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz' 2025-08-31T10:10:31,135 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz' 2025-08-31T10:10:31,136 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz' 2025-08-31T10:10:31,137 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz' 2025-08-31T10:10:31,138 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz' 2025-08-31T10:10:31,139 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz' 2025-08-31T10:10:31,140 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz' 2025-08-31T10:10:31,141 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz' 2025-08-31T10:10:31,142 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz' 2025-08-31T10:10:31,143 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz' 2025-08-31T10:10:31,144 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz' 2025-08-31T10:10:31,145 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz' 2025-08-31T10:10:31,147 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz' 2025-08-31T10:10:31,148 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz' 2025-08-31T10:10:31,149 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz' 2025-08-31T10:10:31,150 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz' 2025-08-31T10:10:31,151 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz' 2025-08-31T10:10:31,152 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz' 2025-08-31T10:10:31,153 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz' 2025-08-31T10:10:31,154 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz' 2025-08-31T10:10:31,155 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz' 2025-08-31T10:10:31,157 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz' 2025-08-31T10:10:31,158 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz' 2025-08-31T10:10:31,159 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz' 2025-08-31T10:10:31,160 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz' 2025-08-31T10:10:31,161 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz' 2025-08-31T10:10:31,162 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz' 2025-08-31T10:10:31,163 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz' 2025-08-31T10:10:31,165 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz' 2025-08-31T10:10:31,166 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz' 2025-08-31T10:10:31,167 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz' 2025-08-31T10:10:31,168 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz' 2025-08-31T10:10:31,169 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz' 2025-08-31T10:10:31,170 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz' 2025-08-31T10:10:31,171 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz' 2025-08-31T10:10:31,172 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz' 2025-08-31T10:10:31,173 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz' 2025-08-31T10:10:31,174 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz' 2025-08-31T10:10:31,175 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz' 2025-08-31T10:10:31,176 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz' 2025-08-31T10:10:31,177 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz' 2025-08-31T10:10:31,178 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz' 2025-08-31T10:10:31,179 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz' 2025-08-31T10:10:31,180 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz' 2025-08-31T10:10:31,181 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz' 2025-08-31T10:10:31,182 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz' 2025-08-31T10:10:31,183 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz' 2025-08-31T10:10:31,184 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz' 2025-08-31T10:10:31,186 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz' 2025-08-31T10:10:31,187 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz' 2025-08-31T10:10:31,188 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz' 2025-08-31T10:10:31,189 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz' 2025-08-31T10:10:31,190 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz' 2025-08-31T10:10:31,191 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz' 2025-08-31T10:10:31,192 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz' 2025-08-31T10:10:31,193 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz' 2025-08-31T10:10:31,195 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz' 2025-08-31T10:10:31,196 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz' 2025-08-31T10:10:31,197 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz' 2025-08-31T10:10:31,198 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz' 2025-08-31T10:10:31,199 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz' 2025-08-31T10:10:31,200 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz' 2025-08-31T10:10:31,201 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz' 2025-08-31T10:10:31,202 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz' 2025-08-31T10:10:31,203 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz' 2025-08-31T10:10:31,205 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz' 2025-08-31T10:10:31,206 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz' 2025-08-31T10:10:31,207 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz' 2025-08-31T10:10:31,208 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz' 2025-08-31T10:10:31,209 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz' 2025-08-31T10:10:31,210 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz' 2025-08-31T10:10:31,211 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz' 2025-08-31T10:10:31,212 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz' 2025-08-31T10:10:31,214 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz' 2025-08-31T10:10:31,215 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz' 2025-08-31T10:10:31,216 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz' 2025-08-31T10:10:31,217 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz' 2025-08-31T10:10:31,218 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz' 2025-08-31T10:10:31,218 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz' 2025-08-31T10:10:31,219 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz' 2025-08-31T10:10:31,220 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz' 2025-08-31T10:10:31,221 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz' 2025-08-31T10:10:31,222 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz' 2025-08-31T10:10:31,223 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz' 2025-08-31T10:10:31,224 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz' 2025-08-31T10:10:31,226 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz' 2025-08-31T10:10:31,227 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz' 2025-08-31T10:10:31,228 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz' 2025-08-31T10:10:31,229 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz' 2025-08-31T10:10:31,230 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz' 2025-08-31T10:10:31,231 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz' 2025-08-31T10:10:31,232 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz' 2025-08-31T10:10:31,233 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz' 2025-08-31T10:10:31,234 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz' 2025-08-31T10:10:31,235 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz' 2025-08-31T10:10:31,236 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz' 2025-08-31T10:10:31,237 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz' 2025-08-31T10:10:31,238 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz' 2025-08-31T10:10:31,239 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz' 2025-08-31T10:10:31,240 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz' 2025-08-31T10:10:31,241 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz' 2025-08-31T10:10:31,242 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz' 2025-08-31T10:10:31,244 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz' 2025-08-31T10:10:31,245 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz' 2025-08-31T10:10:31,246 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz' 2025-08-31T10:10:31,247 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz' 2025-08-31T10:10:31,248 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz' 2025-08-31T10:10:31,249 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz' 2025-08-31T10:10:31,250 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz' 2025-08-31T10:10:31,251 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz' 2025-08-31T10:10:31,252 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz' 2025-08-31T10:10:31,253 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz' 2025-08-31T10:10:31,254 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz' 2025-08-31T10:10:31,255 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz' 2025-08-31T10:10:31,257 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz' 2025-08-31T10:10:31,258 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz' 2025-08-31T10:10:31,259 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz' 2025-08-31T10:10:31,260 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz' 2025-08-31T10:10:31,261 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz' 2025-08-31T10:10:31,262 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz' 2025-08-31T10:10:31,263 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz' 2025-08-31T10:10:31,264 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz' 2025-08-31T10:10:31,265 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz' 2025-08-31T10:10:31,266 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz' 2025-08-31T10:10:31,267 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz' 2025-08-31T10:10:31,268 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz' 2025-08-31T10:10:31,270 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz' 2025-08-31T10:10:31,271 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz' 2025-08-31T10:10:31,272 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz' 2025-08-31T10:10:31,273 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz' 2025-08-31T10:10:31,274 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz' 2025-08-31T10:10:31,275 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz' 2025-08-31T10:10:31,276 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz' 2025-08-31T10:10:31,277 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz' 2025-08-31T10:10:31,278 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz' 2025-08-31T10:10:31,279 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz' 2025-08-31T10:10:31,280 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz' 2025-08-31T10:10:31,281 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz' 2025-08-31T10:10:31,282 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz' 2025-08-31T10:10:31,283 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz' 2025-08-31T10:10:31,285 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz' 2025-08-31T10:10:31,286 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz' 2025-08-31T10:10:31,287 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz' 2025-08-31T10:10:31,288 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz' 2025-08-31T10:10:31,289 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz' 2025-08-31T10:10:31,290 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz' 2025-08-31T10:10:31,291 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz' 2025-08-31T10:10:31,292 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz' 2025-08-31T10:10:31,293 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz' 2025-08-31T10:10:31,294 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz' 2025-08-31T10:10:31,296 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz' 2025-08-31T10:10:31,297 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz' 2025-08-31T10:10:31,298 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz' 2025-08-31T10:10:31,299 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz' 2025-08-31T10:10:31,300 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz' 2025-08-31T10:10:31,301 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz' 2025-08-31T10:10:31,302 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz' 2025-08-31T10:10:31,304 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz' 2025-08-31T10:10:31,305 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz' 2025-08-31T10:10:31,306 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz' 2025-08-31T10:10:31,307 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz' 2025-08-31T10:10:31,308 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz' 2025-08-31T10:10:31,309 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz' 2025-08-31T10:10:31,310 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz' 2025-08-31T10:10:31,311 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz' 2025-08-31T10:10:31,312 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz' 2025-08-31T10:10:31,313 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz' 2025-08-31T10:10:31,315 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz' 2025-08-31T10:10:31,316 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz' 2025-08-31T10:10:31,317 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz' 2025-08-31T10:10:31,318 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz' 2025-08-31T10:10:31,319 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz' 2025-08-31T10:10:31,320 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz' 2025-08-31T10:10:31,321 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz' 2025-08-31T10:10:31,323 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz' 2025-08-31T10:10:31,324 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz' 2025-08-31T10:10:31,325 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz' 2025-08-31T10:10:31,326 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz' 2025-08-31T10:10:31,328 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz' 2025-08-31T10:10:31,329 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz' 2025-08-31T10:10:31,330 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz' 2025-08-31T10:10:31,331 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz' 2025-08-31T10:10:31,333 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz' 2025-08-31T10:10:31,334 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz' 2025-08-31T10:10:31,336 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz' 2025-08-31T10:10:31,337 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz' 2025-08-31T10:10:31,338 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz' 2025-08-31T10:10:31,339 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz' 2025-08-31T10:10:31,340 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz' 2025-08-31T10:10:31,341 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz' 2025-08-31T10:10:31,343 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz' 2025-08-31T10:10:31,344 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz' 2025-08-31T10:10:31,345 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz' 2025-08-31T10:10:31,347 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz' 2025-08-31T10:10:31,348 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz' 2025-08-31T10:10:31,352 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz' 2025-08-31T10:10:31,353 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz' 2025-08-31T10:10:31,354 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz' 2025-08-31T10:10:31,355 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz' 2025-08-31T10:10:31,357 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz' 2025-08-31T10:10:31,358 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz' 2025-08-31T10:10:31,359 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz' 2025-08-31T10:10:31,360 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz' 2025-08-31T10:10:31,361 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz' 2025-08-31T10:10:31,363 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz' 2025-08-31T10:10:31,364 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz' 2025-08-31T10:10:31,365 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz' 2025-08-31T10:10:31,366 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz' 2025-08-31T10:10:31,367 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz' 2025-08-31T10:10:31,368 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz' 2025-08-31T10:10:31,369 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz' 2025-08-31T10:10:31,370 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz' 2025-08-31T10:10:31,372 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz' 2025-08-31T10:10:31,374 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz' 2025-08-31T10:10:31,375 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz' 2025-08-31T10:10:31,377 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz' 2025-08-31T10:10:31,379 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz' 2025-08-31T10:10:31,380 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz' 2025-08-31T10:10:31,381 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz' 2025-08-31T10:10:31,383 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz' 2025-08-31T10:10:31,384 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz' 2025-08-31T10:10:31,385 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz' 2025-08-31T10:10:31,386 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz' 2025-08-31T10:10:31,388 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz' 2025-08-31T10:10:31,389 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz' 2025-08-31T10:10:31,391 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz' 2025-08-31T10:10:31,392 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz' 2025-08-31T10:10:31,393 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz' 2025-08-31T10:10:31,395 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz' 2025-08-31T10:10:31,396 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz' 2025-08-31T10:10:31,398 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz' 2025-08-31T10:10:31,399 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz' 2025-08-31T10:10:31,401 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz' 2025-08-31T10:10:31,402 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz' 2025-08-31T10:10:31,404 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz' 2025-08-31T10:10:31,405 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz' 2025-08-31T10:10:31,406 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz' 2025-08-31T10:10:31,408 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz' 2025-08-31T10:10:31,409 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz' 2025-08-31T10:10:31,410 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz' 2025-08-31T10:10:31,412 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz' 2025-08-31T10:10:31,413 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz' 2025-08-31T10:10:31,414 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz' 2025-08-31T10:10:31,416 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz' 2025-08-31T10:10:31,417 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz' 2025-08-31T10:10:31,418 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz' 2025-08-31T10:10:31,420 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz' 2025-08-31T10:10:31,421 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz' 2025-08-31T10:10:31,423 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz' 2025-08-31T10:10:31,424 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz' 2025-08-31T10:10:31,426 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz' 2025-08-31T10:10:31,427 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz' 2025-08-31T10:10:31,428 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz' 2025-08-31T10:10:31,430 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz' 2025-08-31T10:10:31,431 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz' 2025-08-31T10:10:31,433 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz' 2025-08-31T10:10:31,436 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz' 2025-08-31T10:10:31,437 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz' 2025-08-31T10:10:31,439 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz' 2025-08-31T10:10:31,440 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz' 2025-08-31T10:10:31,442 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz' 2025-08-31T10:10:31,443 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz' 2025-08-31T10:10:31,445 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz' 2025-08-31T10:10:31,446 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz' 2025-08-31T10:10:31,448 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz' 2025-08-31T10:10:31,449 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz' 2025-08-31T10:10:31,450 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz' 2025-08-31T10:10:31,452 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz' 2025-08-31T10:10:31,453 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz' 2025-08-31T10:10:31,454 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz' 2025-08-31T10:10:31,455 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz' 2025-08-31T10:10:31,457 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz' 2025-08-31T10:10:31,458 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz' 2025-08-31T10:10:31,460 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz' 2025-08-31T10:10:31,461 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz' 2025-08-31T10:10:31,463 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz' 2025-08-31T10:10:31,464 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz' 2025-08-31T10:10:31,465 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz' 2025-08-31T10:10:31,467 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz' 2025-08-31T10:10:31,468 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz' 2025-08-31T10:10:31,469 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz' 2025-08-31T10:10:31,471 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz' 2025-08-31T10:10:31,472 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz' 2025-08-31T10:10:31,474 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz' 2025-08-31T10:10:31,475 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz' 2025-08-31T10:10:31,476 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz' 2025-08-31T10:10:31,478 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz' 2025-08-31T10:10:31,479 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz' 2025-08-31T10:10:31,481 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz' 2025-08-31T10:10:31,482 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz' 2025-08-31T10:10:31,484 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz' 2025-08-31T10:10:31,485 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz' 2025-08-31T10:10:31,486 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz' 2025-08-31T10:10:31,488 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz' 2025-08-31T10:10:31,489 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz' 2025-08-31T10:10:31,491 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz' 2025-08-31T10:10:31,492 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz' 2025-08-31T10:10:31,494 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz' 2025-08-31T10:10:31,495 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz' 2025-08-31T10:10:31,496 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz' 2025-08-31T10:10:31,497 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz' 2025-08-31T10:10:31,498 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz' 2025-08-31T10:10:31,499 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz' 2025-08-31T10:10:31,500 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz' 2025-08-31T10:10:31,502 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz' 2025-08-31T10:10:31,503 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz' 2025-08-31T10:10:31,504 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz' 2025-08-31T10:10:31,505 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz' 2025-08-31T10:10:31,506 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz' 2025-08-31T10:10:31,507 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz' 2025-08-31T10:10:31,508 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz' 2025-08-31T10:10:31,510 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz' 2025-08-31T10:10:31,511 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz' 2025-08-31T10:10:31,512 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz' 2025-08-31T10:10:31,513 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz' 2025-08-31T10:10:31,514 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz' 2025-08-31T10:10:31,515 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz' 2025-08-31T10:10:31,517 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz' 2025-08-31T10:10:31,518 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz' 2025-08-31T10:10:31,519 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz' 2025-08-31T10:10:31,520 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz' 2025-08-31T10:10:31,521 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz' 2025-08-31T10:10:31,549 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz' 2025-08-31T10:10:31,550 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz' 2025-08-31T10:10:31,551 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz' 2025-08-31T10:10:31,552 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz' 2025-08-31T10:10:31,553 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz' 2025-08-31T10:10:31,555 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz' 2025-08-31T10:10:31,556 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz' 2025-08-31T10:10:31,557 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz' 2025-08-31T10:10:31,558 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz' 2025-08-31T10:10:31,559 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz' 2025-08-31T10:10:31,560 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz' 2025-08-31T10:10:31,561 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz' 2025-08-31T10:10:31,562 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz' 2025-08-31T10:10:31,563 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz' 2025-08-31T10:10:31,564 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz' 2025-08-31T10:10:31,565 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz' 2025-08-31T10:10:31,566 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz' 2025-08-31T10:10:31,567 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz' 2025-08-31T10:10:31,569 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz' 2025-08-31T10:10:31,570 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz' 2025-08-31T10:10:31,571 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz' 2025-08-31T10:10:31,572 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz' 2025-08-31T10:10:31,573 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz' 2025-08-31T10:10:31,574 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz' 2025-08-31T10:10:31,575 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz' 2025-08-31T10:10:31,576 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz' 2025-08-31T10:10:31,578 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz' 2025-08-31T10:10:31,579 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz' 2025-08-31T10:10:31,580 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz' 2025-08-31T10:10:31,581 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz' 2025-08-31T10:10:31,582 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz' 2025-08-31T10:10:31,583 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz' 2025-08-31T10:10:31,585 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz' 2025-08-31T10:10:31,586 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz' 2025-08-31T10:10:31,587 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz' 2025-08-31T10:10:31,588 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz' 2025-08-31T10:10:31,589 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz' 2025-08-31T10:10:31,590 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz' 2025-08-31T10:10:31,592 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz' 2025-08-31T10:10:31,593 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz' 2025-08-31T10:10:31,594 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz' 2025-08-31T10:10:31,595 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz' 2025-08-31T10:10:31,597 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz' 2025-08-31T10:10:31,598 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz' 2025-08-31T10:10:31,599 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz' 2025-08-31T10:10:31,600 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz' 2025-08-31T10:10:31,601 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz' 2025-08-31T10:10:31,602 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz' 2025-08-31T10:10:31,603 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz' 2025-08-31T10:10:31,604 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz' 2025-08-31T10:10:31,605 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz' 2025-08-31T10:10:31,606 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz' 2025-08-31T10:10:31,607 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz' 2025-08-31T10:10:31,608 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz' 2025-08-31T10:10:31,609 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz' 2025-08-31T10:10:31,610 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz' 2025-08-31T10:10:31,612 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz' 2025-08-31T10:10:31,613 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz' 2025-08-31T10:10:31,614 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz' 2025-08-31T10:10:31,615 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz' 2025-08-31T10:10:31,616 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz' 2025-08-31T10:10:31,617 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz' 2025-08-31T10:10:31,618 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz' 2025-08-31T10:10:31,619 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz' 2025-08-31T10:10:31,621 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz' 2025-08-31T10:10:31,622 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz' 2025-08-31T10:10:31,623 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz' 2025-08-31T10:10:31,624 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz' 2025-08-31T10:10:31,625 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz' 2025-08-31T10:10:31,626 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz' 2025-08-31T10:10:31,628 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz' 2025-08-31T10:10:31,629 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz' 2025-08-31T10:10:31,630 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz' 2025-08-31T10:10:31,631 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz' 2025-08-31T10:10:31,632 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz' 2025-08-31T10:10:31,633 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz' 2025-08-31T10:10:31,634 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz' 2025-08-31T10:10:31,635 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz' 2025-08-31T10:10:31,637 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz' 2025-08-31T10:10:31,638 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz' 2025-08-31T10:10:31,639 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz' 2025-08-31T10:10:31,640 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz' 2025-08-31T10:10:31,641 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz' 2025-08-31T10:10:31,642 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz' 2025-08-31T10:10:31,643 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz' 2025-08-31T10:10:31,645 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz' 2025-08-31T10:10:31,646 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz' 2025-08-31T10:10:31,647 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz' 2025-08-31T10:10:31,648 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz' 2025-08-31T10:10:31,649 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz' 2025-08-31T10:10:31,650 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz' 2025-08-31T10:10:31,651 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz' 2025-08-31T10:10:31,652 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz' 2025-08-31T10:10:31,653 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz' 2025-08-31T10:10:31,654 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz' 2025-08-31T10:10:31,655 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz' 2025-08-31T10:10:31,657 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz' 2025-08-31T10:10:31,658 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz' 2025-08-31T10:10:31,659 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz' 2025-08-31T10:10:31,660 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz' 2025-08-31T10:10:31,661 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz' 2025-08-31T10:10:31,662 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz' 2025-08-31T10:10:31,663 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz' 2025-08-31T10:10:31,664 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz' 2025-08-31T10:10:31,666 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz' 2025-08-31T10:10:31,667 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz' 2025-08-31T10:10:31,668 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz' 2025-08-31T10:10:31,669 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz' 2025-08-31T10:10:31,670 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz' 2025-08-31T10:10:31,671 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz' 2025-08-31T10:10:31,672 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz' 2025-08-31T10:10:31,674 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz' 2025-08-31T10:10:31,675 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz' 2025-08-31T10:10:31,676 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz' 2025-08-31T10:10:31,677 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz' 2025-08-31T10:10:31,678 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz' 2025-08-31T10:10:31,679 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz' 2025-08-31T10:10:31,680 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz' 2025-08-31T10:10:31,682 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz' 2025-08-31T10:10:31,683 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz' 2025-08-31T10:10:31,684 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz' 2025-08-31T10:10:31,685 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz' 2025-08-31T10:10:31,686 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz' 2025-08-31T10:10:31,687 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz' 2025-08-31T10:10:31,688 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz' 2025-08-31T10:10:31,689 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz' 2025-08-31T10:10:31,690 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz' 2025-08-31T10:10:31,691 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz' 2025-08-31T10:10:31,692 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz' 2025-08-31T10:10:31,694 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz' 2025-08-31T10:10:31,695 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz' 2025-08-31T10:10:31,696 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz' 2025-08-31T10:10:31,697 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz' 2025-08-31T10:10:31,698 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz' 2025-08-31T10:10:31,699 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz' 2025-08-31T10:10:31,700 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz' 2025-08-31T10:10:31,701 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz' 2025-08-31T10:10:31,703 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz' 2025-08-31T10:10:31,704 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz' 2025-08-31T10:10:31,705 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz' 2025-08-31T10:10:31,706 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz' 2025-08-31T10:10:31,707 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz' 2025-08-31T10:10:31,708 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz' 2025-08-31T10:10:31,710 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz' 2025-08-31T10:10:31,711 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz' 2025-08-31T10:10:31,712 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz' 2025-08-31T10:10:31,713 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz' 2025-08-31T10:10:31,714 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz' 2025-08-31T10:10:31,716 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz' 2025-08-31T10:10:31,717 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz' 2025-08-31T10:10:31,718 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz' 2025-08-31T10:10:31,719 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz' 2025-08-31T10:10:31,721 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz' 2025-08-31T10:10:31,722 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz' 2025-08-31T10:10:31,723 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz' 2025-08-31T10:10:31,724 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz' 2025-08-31T10:10:31,725 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz' 2025-08-31T10:10:31,726 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz' 2025-08-31T10:10:31,727 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz' 2025-08-31T10:10:31,728 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz' 2025-08-31T10:10:31,730 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz' 2025-08-31T10:10:31,731 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz' 2025-08-31T10:10:31,732 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz' 2025-08-31T10:10:31,733 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz' 2025-08-31T10:10:31,734 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz' 2025-08-31T10:10:31,735 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz' 2025-08-31T10:10:31,736 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz' 2025-08-31T10:10:31,738 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz' 2025-08-31T10:10:31,739 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz' 2025-08-31T10:10:31,740 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz' 2025-08-31T10:10:31,741 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz' 2025-08-31T10:10:31,742 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz' 2025-08-31T10:10:31,743 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz' 2025-08-31T10:10:31,745 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz' 2025-08-31T10:10:31,746 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz' 2025-08-31T10:10:31,747 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz' 2025-08-31T10:10:31,748 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz' 2025-08-31T10:10:31,749 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz' 2025-08-31T10:10:31,750 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz' 2025-08-31T10:10:31,751 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz' 2025-08-31T10:10:31,752 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz' 2025-08-31T10:10:31,754 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz' 2025-08-31T10:10:31,755 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz' 2025-08-31T10:10:31,756 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz' 2025-08-31T10:10:31,757 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz' 2025-08-31T10:10:31,758 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz' 2025-08-31T10:10:31,759 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz' 2025-08-31T10:10:31,760 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz' 2025-08-31T10:10:31,762 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz' 2025-08-31T10:10:31,763 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz' 2025-08-31T10:10:31,764 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz' 2025-08-31T10:10:31,765 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz' 2025-08-31T10:10:31,766 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz' 2025-08-31T10:10:31,767 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz' 2025-08-31T10:10:31,768 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz' 2025-08-31T10:10:31,770 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz' 2025-08-31T10:10:31,771 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz' 2025-08-31T10:10:31,772 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz' 2025-08-31T10:10:31,773 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz' 2025-08-31T10:10:31,774 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz' 2025-08-31T10:10:31,775 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz' 2025-08-31T10:10:31,776 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz' 2025-08-31T10:10:31,777 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz' 2025-08-31T10:10:31,778 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz' 2025-08-31T10:10:31,780 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz' 2025-08-31T10:10:31,781 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz' 2025-08-31T10:10:31,782 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz' 2025-08-31T10:10:31,783 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz' 2025-08-31T10:10:31,784 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz' 2025-08-31T10:10:31,785 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz' 2025-08-31T10:10:31,786 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz' 2025-08-31T10:10:31,787 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz' 2025-08-31T10:10:31,789 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz' 2025-08-31T10:10:31,790 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz' 2025-08-31T10:10:31,791 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz' 2025-08-31T10:10:31,792 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz' 2025-08-31T10:10:31,793 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz' 2025-08-31T10:10:31,794 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz' 2025-08-31T10:10:31,796 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz' 2025-08-31T10:10:31,797 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz' 2025-08-31T10:10:31,798 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz' 2025-08-31T10:10:31,799 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz' 2025-08-31T10:10:31,800 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz' 2025-08-31T10:10:31,801 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz' 2025-08-31T10:10:31,803 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz' 2025-08-31T10:10:31,804 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz' 2025-08-31T10:10:31,805 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz' 2025-08-31T10:10:31,806 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz' 2025-08-31T10:10:31,807 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz' 2025-08-31T10:10:31,809 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz' 2025-08-31T10:10:31,810 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz' 2025-08-31T10:10:31,811 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz' 2025-08-31T10:10:31,812 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz' 2025-08-31T10:10:31,813 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz' 2025-08-31T10:10:31,814 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz' 2025-08-31T10:10:31,815 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz' 2025-08-31T10:10:31,816 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz' 2025-08-31T10:10:31,817 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz' 2025-08-31T10:10:31,819 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz' 2025-08-31T10:10:31,820 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz' 2025-08-31T10:10:31,821 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz' 2025-08-31T10:10:31,822 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz' 2025-08-31T10:10:31,823 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz' 2025-08-31T10:10:31,824 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz' 2025-08-31T10:10:31,826 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz' 2025-08-31T10:10:31,827 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz' 2025-08-31T10:10:31,828 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz' 2025-08-31T10:10:31,829 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz' 2025-08-31T10:10:31,830 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz' 2025-08-31T10:10:31,832 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz' 2025-08-31T10:10:31,833 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz' 2025-08-31T10:10:31,834 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz' 2025-08-31T10:10:31,836 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz' 2025-08-31T10:10:31,837 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz' 2025-08-31T10:10:31,838 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz' 2025-08-31T10:10:31,839 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz' 2025-08-31T10:10:31,840 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz' 2025-08-31T10:10:31,841 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz' 2025-08-31T10:10:31,843 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz' 2025-08-31T10:10:31,844 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz' 2025-08-31T10:10:31,845 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz' 2025-08-31T10:10:31,846 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz' 2025-08-31T10:10:31,847 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz' 2025-08-31T10:10:31,849 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz' 2025-08-31T10:10:31,850 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz' 2025-08-31T10:10:31,851 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz' 2025-08-31T10:10:31,852 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz' 2025-08-31T10:10:31,853 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz' 2025-08-31T10:10:31,854 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz' 2025-08-31T10:10:31,855 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz' 2025-08-31T10:10:31,857 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz' 2025-08-31T10:10:31,858 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz' 2025-08-31T10:10:31,859 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz' 2025-08-31T10:10:31,860 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz' 2025-08-31T10:10:31,861 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz' 2025-08-31T10:10:31,862 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz' 2025-08-31T10:10:31,863 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz' 2025-08-31T10:10:31,864 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz' 2025-08-31T10:10:31,866 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz' 2025-08-31T10:10:31,867 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz' 2025-08-31T10:10:31,868 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz' 2025-08-31T10:10:31,869 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz' 2025-08-31T10:10:31,870 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz' 2025-08-31T10:10:31,871 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz' 2025-08-31T10:10:31,873 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz' 2025-08-31T10:10:31,874 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz' 2025-08-31T10:10:31,875 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz' 2025-08-31T10:10:31,876 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz' 2025-08-31T10:10:31,877 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz' 2025-08-31T10:10:31,878 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz' 2025-08-31T10:10:31,880 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz' 2025-08-31T10:10:31,881 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz' 2025-08-31T10:10:31,882 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz' 2025-08-31T10:10:31,883 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz' 2025-08-31T10:10:31,884 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz' 2025-08-31T10:10:31,885 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz' 2025-08-31T10:10:31,887 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz' 2025-08-31T10:10:31,888 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz' 2025-08-31T10:10:31,889 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz' 2025-08-31T10:10:31,890 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz' 2025-08-31T10:10:31,892 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz' 2025-08-31T10:10:31,893 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz' 2025-08-31T10:10:31,894 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz' 2025-08-31T10:10:31,895 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz' 2025-08-31T10:10:31,896 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz' 2025-08-31T10:10:31,897 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz' 2025-08-31T10:10:31,898 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz' 2025-08-31T10:10:31,899 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz' 2025-08-31T10:10:31,900 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz' 2025-08-31T10:10:31,901 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz' 2025-08-31T10:10:31,903 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz' 2025-08-31T10:10:31,904 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz' 2025-08-31T10:10:31,905 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz' 2025-08-31T10:10:31,906 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz' 2025-08-31T10:10:31,907 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz' 2025-08-31T10:10:31,908 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz' 2025-08-31T10:10:31,909 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz' 2025-08-31T10:10:31,910 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz' 2025-08-31T10:10:31,912 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz' 2025-08-31T10:10:31,913 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz' 2025-08-31T10:10:31,914 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz' 2025-08-31T10:10:31,915 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz' 2025-08-31T10:10:31,916 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz' 2025-08-31T10:10:31,917 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz' 2025-08-31T10:10:31,918 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz' 2025-08-31T10:10:31,920 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz' 2025-08-31T10:10:31,921 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz' 2025-08-31T10:10:31,922 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz' 2025-08-31T10:10:31,923 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz' 2025-08-31T10:10:31,924 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz' 2025-08-31T10:10:31,925 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz' 2025-08-31T10:10:31,927 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz' 2025-08-31T10:10:31,928 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz' 2025-08-31T10:10:31,929 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz' 2025-08-31T10:10:31,930 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz' 2025-08-31T10:10:31,931 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz' 2025-08-31T10:10:31,933 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz' 2025-08-31T10:10:31,934 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz' 2025-08-31T10:10:31,935 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz' 2025-08-31T10:10:31,936 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz' 2025-08-31T10:10:31,937 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz' 2025-08-31T10:10:31,939 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz' 2025-08-31T10:10:31,940 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz' 2025-08-31T10:10:31,941 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz' 2025-08-31T10:10:31,942 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz' 2025-08-31T10:10:31,943 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz' 2025-08-31T10:10:31,944 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz' 2025-08-31T10:10:31,945 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz' 2025-08-31T10:10:31,946 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz' 2025-08-31T10:10:31,948 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz' 2025-08-31T10:10:31,949 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz' 2025-08-31T10:10:31,950 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz' 2025-08-31T10:10:31,951 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz' 2025-08-31T10:10:31,952 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz' 2025-08-31T10:10:31,953 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz' 2025-08-31T10:10:31,955 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz' 2025-08-31T10:10:31,956 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz' 2025-08-31T10:10:31,957 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz' 2025-08-31T10:10:31,958 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz' 2025-08-31T10:10:31,959 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz' 2025-08-31T10:10:31,961 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz' 2025-08-31T10:10:31,962 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz' 2025-08-31T10:10:31,963 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz' 2025-08-31T10:10:31,964 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz' 2025-08-31T10:10:31,966 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz' 2025-08-31T10:10:31,967 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz' 2025-08-31T10:10:31,968 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz' 2025-08-31T10:10:31,969 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz' 2025-08-31T10:10:31,970 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz' 2025-08-31T10:10:31,972 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz' 2025-08-31T10:10:31,973 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz' 2025-08-31T10:10:31,974 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz' 2025-08-31T10:10:31,975 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz' 2025-08-31T10:10:31,976 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz' 2025-08-31T10:10:31,978 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz' 2025-08-31T10:10:31,979 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz' 2025-08-31T10:10:31,980 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz' 2025-08-31T10:10:31,981 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz' 2025-08-31T10:10:31,983 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz' 2025-08-31T10:10:31,984 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz' 2025-08-31T10:10:31,985 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz' 2025-08-31T10:10:31,986 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz' 2025-08-31T10:10:31,988 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz' 2025-08-31T10:10:31,989 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz' 2025-08-31T10:10:31,990 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz' 2025-08-31T10:10:31,991 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz' 2025-08-31T10:10:31,992 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz' 2025-08-31T10:10:31,993 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz' 2025-08-31T10:10:31,995 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz' 2025-08-31T10:10:31,996 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz' 2025-08-31T10:10:31,997 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz' 2025-08-31T10:10:31,998 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz' 2025-08-31T10:10:31,999 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz' 2025-08-31T10:10:32,001 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz' 2025-08-31T10:10:32,002 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz' 2025-08-31T10:10:32,003 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz' 2025-08-31T10:10:32,004 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz' 2025-08-31T10:10:32,005 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz' 2025-08-31T10:10:32,007 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz' 2025-08-31T10:10:32,008 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz' 2025-08-31T10:10:32,009 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz' 2025-08-31T10:10:32,010 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz' 2025-08-31T10:10:32,012 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz' 2025-08-31T10:10:32,013 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz' 2025-08-31T10:10:32,014 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz' 2025-08-31T10:10:32,015 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz' 2025-08-31T10:10:32,017 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz' 2025-08-31T10:10:32,018 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz' 2025-08-31T10:10:32,019 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz' 2025-08-31T10:10:32,020 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz' 2025-08-31T10:10:32,021 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz' 2025-08-31T10:10:32,022 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz' 2025-08-31T10:10:32,023 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz' 2025-08-31T10:10:32,024 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz' 2025-08-31T10:10:32,026 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz' 2025-08-31T10:10:32,027 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz' 2025-08-31T10:10:32,028 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz' 2025-08-31T10:10:32,029 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz' 2025-08-31T10:10:32,030 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz' 2025-08-31T10:10:32,031 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz' 2025-08-31T10:10:32,032 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz' 2025-08-31T10:10:32,034 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz' 2025-08-31T10:10:32,035 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz' 2025-08-31T10:10:32,036 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz' 2025-08-31T10:10:32,037 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz' 2025-08-31T10:10:32,038 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz' 2025-08-31T10:10:32,039 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz' 2025-08-31T10:10:32,040 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz' 2025-08-31T10:10:32,042 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz' 2025-08-31T10:10:32,043 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz' 2025-08-31T10:10:32,044 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz' 2025-08-31T10:10:32,045 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz' 2025-08-31T10:10:32,046 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz' 2025-08-31T10:10:32,048 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz' 2025-08-31T10:10:32,049 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz' 2025-08-31T10:10:32,050 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz' 2025-08-31T10:10:32,051 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz' 2025-08-31T10:10:32,052 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz' 2025-08-31T10:10:32,054 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz' 2025-08-31T10:10:32,055 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz' 2025-08-31T10:10:32,056 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz' 2025-08-31T10:10:32,057 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz' 2025-08-31T10:10:32,058 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz' 2025-08-31T10:10:32,059 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz' 2025-08-31T10:10:32,061 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz' 2025-08-31T10:10:32,062 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz' 2025-08-31T10:10:32,063 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz' 2025-08-31T10:10:32,064 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz' 2025-08-31T10:10:32,065 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz' 2025-08-31T10:10:32,066 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz' 2025-08-31T10:10:32,067 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz' 2025-08-31T10:10:32,068 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz' 2025-08-31T10:10:32,070 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz' 2025-08-31T10:10:32,071 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz' 2025-08-31T10:10:32,072 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz' 2025-08-31T10:10:32,073 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz' 2025-08-31T10:10:32,074 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz' 2025-08-31T10:10:32,075 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz' 2025-08-31T10:10:32,077 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz' 2025-08-31T10:10:32,078 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz' 2025-08-31T10:10:32,079 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz' 2025-08-31T10:10:32,080 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz' 2025-08-31T10:10:32,081 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz' 2025-08-31T10:10:32,083 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz' 2025-08-31T10:10:32,084 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz' 2025-08-31T10:10:32,085 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz' 2025-08-31T10:10:32,086 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz' 2025-08-31T10:10:32,087 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz' 2025-08-31T10:10:32,088 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz' 2025-08-31T10:10:32,090 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz' 2025-08-31T10:10:32,091 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz' 2025-08-31T10:10:32,092 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz' 2025-08-31T10:10:32,093 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz' 2025-08-31T10:10:32,094 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz' 2025-08-31T10:10:32,095 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz' 2025-08-31T10:10:32,097 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz' 2025-08-31T10:10:32,098 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz' 2025-08-31T10:10:32,099 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz' 2025-08-31T10:10:32,100 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz' 2025-08-31T10:10:32,101 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz' 2025-08-31T10:10:32,103 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz' 2025-08-31T10:10:32,104 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz' 2025-08-31T10:10:32,105 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz' 2025-08-31T10:10:32,106 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz' 2025-08-31T10:10:32,107 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz' 2025-08-31T10:10:32,108 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz' 2025-08-31T10:10:32,109 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz' 2025-08-31T10:10:32,110 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz' 2025-08-31T10:10:32,111 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz' 2025-08-31T10:10:32,113 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz' 2025-08-31T10:10:32,114 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz' 2025-08-31T10:10:32,115 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz' 2025-08-31T10:10:32,116 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz' 2025-08-31T10:10:32,117 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz' 2025-08-31T10:10:32,118 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz' 2025-08-31T10:10:32,119 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz' 2025-08-31T10:10:32,120 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz' 2025-08-31T10:10:32,121 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz' 2025-08-31T10:10:32,123 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz' 2025-08-31T10:10:32,124 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz' 2025-08-31T10:10:32,125 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz' 2025-08-31T10:10:32,126 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz' 2025-08-31T10:10:32,127 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz' 2025-08-31T10:10:32,128 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz' 2025-08-31T10:10:32,129 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz' 2025-08-31T10:10:32,130 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz' 2025-08-31T10:10:32,131 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz' 2025-08-31T10:10:32,133 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz' 2025-08-31T10:10:32,134 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz' 2025-08-31T10:10:32,135 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz' 2025-08-31T10:10:32,136 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz' 2025-08-31T10:10:32,137 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz' 2025-08-31T10:10:32,139 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz' 2025-08-31T10:10:32,140 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz' 2025-08-31T10:10:32,141 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz' 2025-08-31T10:10:32,142 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz' 2025-08-31T10:10:32,143 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz' 2025-08-31T10:10:32,145 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz' 2025-08-31T10:10:32,146 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz' 2025-08-31T10:10:32,147 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz' 2025-08-31T10:10:32,148 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz' 2025-08-31T10:10:32,149 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz' 2025-08-31T10:10:32,150 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz' 2025-08-31T10:10:32,151 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz' 2025-08-31T10:10:32,152 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz' 2025-08-31T10:10:32,153 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz' 2025-08-31T10:10:32,154 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz' 2025-08-31T10:10:32,156 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz' 2025-08-31T10:10:32,157 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz' 2025-08-31T10:10:32,158 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz' 2025-08-31T10:10:32,159 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz' 2025-08-31T10:10:32,160 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz' 2025-08-31T10:10:32,161 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz' 2025-08-31T10:10:32,162 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz' 2025-08-31T10:10:32,163 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz' 2025-08-31T10:10:32,165 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz' 2025-08-31T10:10:32,166 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz' 2025-08-31T10:10:32,167 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz' 2025-08-31T10:10:32,168 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz' 2025-08-31T10:10:32,169 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz' 2025-08-31T10:10:32,170 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz' 2025-08-31T10:10:32,172 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz' 2025-08-31T10:10:32,173 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz' 2025-08-31T10:10:32,174 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz' 2025-08-31T10:10:32,175 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz' 2025-08-31T10:10:32,176 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz' 2025-08-31T10:10:32,178 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz' 2025-08-31T10:10:32,179 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz' 2025-08-31T10:10:32,180 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz' 2025-08-31T10:10:32,181 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz' 2025-08-31T10:10:32,182 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz' 2025-08-31T10:10:32,183 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz' 2025-08-31T10:10:32,185 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz' 2025-08-31T10:10:32,186 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz' 2025-08-31T10:10:32,187 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz' 2025-08-31T10:10:32,188 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz' 2025-08-31T10:10:32,189 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz' 2025-08-31T10:10:32,190 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz' 2025-08-31T10:10:32,191 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz' 2025-08-31T10:10:32,192 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz' 2025-08-31T10:10:32,193 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz' 2025-08-31T10:10:32,195 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz' 2025-08-31T10:10:32,196 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz' 2025-08-31T10:10:32,197 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz' 2025-08-31T10:10:32,198 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz' 2025-08-31T10:10:32,199 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz' 2025-08-31T10:10:32,200 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz' 2025-08-31T10:10:32,201 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz' 2025-08-31T10:10:32,202 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz' 2025-08-31T10:10:32,204 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz' 2025-08-31T10:10:32,205 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz' 2025-08-31T10:10:32,206 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz' 2025-08-31T10:10:32,207 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz' 2025-08-31T10:10:32,208 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz' 2025-08-31T10:10:32,210 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz' 2025-08-31T10:10:32,211 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz' 2025-08-31T10:10:32,212 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz' 2025-08-31T10:10:32,213 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz' 2025-08-31T10:10:32,215 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz' 2025-08-31T10:10:32,216 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz' 2025-08-31T10:10:32,217 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz' 2025-08-31T10:10:32,218 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz' 2025-08-31T10:10:32,219 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz' 2025-08-31T10:10:32,221 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz' 2025-08-31T10:10:32,222 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz' 2025-08-31T10:10:32,223 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz' 2025-08-31T10:10:32,224 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz' 2025-08-31T10:10:32,225 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz' 2025-08-31T10:10:32,227 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz' 2025-08-31T10:10:32,228 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz' 2025-08-31T10:10:32,229 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz' 2025-08-31T10:10:32,230 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz' 2025-08-31T10:10:32,231 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz' 2025-08-31T10:10:32,232 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz' 2025-08-31T10:10:32,233 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz' 2025-08-31T10:10:32,234 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz' 2025-08-31T10:10:32,236 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz' 2025-08-31T10:10:32,237 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz' 2025-08-31T10:10:32,238 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz' 2025-08-31T10:10:32,239 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz' 2025-08-31T10:10:32,240 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz' 2025-08-31T10:10:32,241 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz' 2025-08-31T10:10:32,242 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz' 2025-08-31T10:10:32,243 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz' 2025-08-31T10:10:32,245 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz' 2025-08-31T10:10:32,246 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz' 2025-08-31T10:10:32,247 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz' 2025-08-31T10:10:32,248 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz' 2025-08-31T10:10:32,249 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz' 2025-08-31T10:10:32,251 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz' 2025-08-31T10:10:32,252 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz' 2025-08-31T10:10:32,253 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz' 2025-08-31T10:10:32,254 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz' 2025-08-31T10:10:32,256 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz' 2025-08-31T10:10:32,257 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz' 2025-08-31T10:10:32,258 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz' 2025-08-31T10:10:32,259 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz' 2025-08-31T10:10:32,260 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz' 2025-08-31T10:10:32,262 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz' 2025-08-31T10:10:32,263 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz' 2025-08-31T10:10:32,264 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz' 2025-08-31T10:10:32,265 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz' 2025-08-31T10:10:32,267 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz' 2025-08-31T10:10:32,268 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz' 2025-08-31T10:10:32,269 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz' 2025-08-31T10:10:32,270 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz' 2025-08-31T10:10:32,271 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz' 2025-08-31T10:10:32,272 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz' 2025-08-31T10:10:32,273 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz' 2025-08-31T10:10:32,274 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz' 2025-08-31T10:10:32,276 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz' 2025-08-31T10:10:32,277 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz' 2025-08-31T10:10:32,278 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz' 2025-08-31T10:10:32,279 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz' 2025-08-31T10:10:32,280 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz' 2025-08-31T10:10:32,281 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz' 2025-08-31T10:10:32,282 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz' 2025-08-31T10:10:32,283 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz' 2025-08-31T10:10:32,284 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz' 2025-08-31T10:10:32,285 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz' 2025-08-31T10:10:32,287 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz' 2025-08-31T10:10:32,288 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz' 2025-08-31T10:10:32,289 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz' 2025-08-31T10:10:32,290 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz' 2025-08-31T10:10:32,291 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz' 2025-08-31T10:10:32,293 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz' 2025-08-31T10:10:32,294 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz' 2025-08-31T10:10:32,295 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz' 2025-08-31T10:10:32,296 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz' 2025-08-31T10:10:32,297 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz' 2025-08-31T10:10:32,299 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz' 2025-08-31T10:10:32,300 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz' 2025-08-31T10:10:32,301 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz' 2025-08-31T10:10:32,302 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz' 2025-08-31T10:10:32,303 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz' 2025-08-31T10:10:32,305 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz' 2025-08-31T10:10:32,306 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz' 2025-08-31T10:10:32,307 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz' 2025-08-31T10:10:32,308 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz' 2025-08-31T10:10:32,309 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz' 2025-08-31T10:10:32,311 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz' 2025-08-31T10:10:32,313 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz' 2025-08-31T10:10:32,314 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz' 2025-08-31T10:10:32,315 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz' 2025-08-31T10:10:32,316 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz' 2025-08-31T10:10:32,317 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz' 2025-08-31T10:10:32,318 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz' 2025-08-31T10:10:32,319 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz' 2025-08-31T10:10:32,320 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz' 2025-08-31T10:10:32,321 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz' 2025-08-31T10:10:32,322 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz' 2025-08-31T10:10:32,323 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz' 2025-08-31T10:10:32,324 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz' 2025-08-31T10:10:32,325 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz' 2025-08-31T10:10:32,326 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz' 2025-08-31T10:10:32,327 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz' 2025-08-31T10:10:32,328 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz' 2025-08-31T10:10:32,329 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz' 2025-08-31T10:10:32,330 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz' 2025-08-31T10:10:32,331 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz' 2025-08-31T10:10:32,332 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz' 2025-08-31T10:10:32,335 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz' 2025-08-31T10:10:32,336 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz' 2025-08-31T10:10:32,337 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz' 2025-08-31T10:10:32,338 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz' 2025-08-31T10:10:32,339 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz' 2025-08-31T10:10:32,341 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz' 2025-08-31T10:10:32,342 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz' 2025-08-31T10:10:32,343 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz' 2025-08-31T10:10:32,344 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz' 2025-08-31T10:10:32,345 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz' 2025-08-31T10:10:32,347 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz' 2025-08-31T10:10:32,348 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz' 2025-08-31T10:10:32,349 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz' 2025-08-31T10:10:32,350 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz' 2025-08-31T10:10:32,351 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz' 2025-08-31T10:10:32,353 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz' 2025-08-31T10:10:32,354 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz' 2025-08-31T10:10:32,355 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz' 2025-08-31T10:10:32,356 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz' 2025-08-31T10:10:32,357 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz' 2025-08-31T10:10:32,359 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz' 2025-08-31T10:10:32,360 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz' 2025-08-31T10:10:32,361 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz' 2025-08-31T10:10:32,362 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz' 2025-08-31T10:10:32,364 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz' 2025-08-31T10:10:32,365 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz' 2025-08-31T10:10:32,366 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz' 2025-08-31T10:10:32,367 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz' 2025-08-31T10:10:32,368 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz' 2025-08-31T10:10:32,370 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz' 2025-08-31T10:10:32,371 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz' 2025-08-31T10:10:32,372 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz' 2025-08-31T10:10:32,374 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz' 2025-08-31T10:10:32,375 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz' 2025-08-31T10:10:32,376 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz' 2025-08-31T10:10:32,377 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz' 2025-08-31T10:10:32,379 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz' 2025-08-31T10:10:32,380 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz' 2025-08-31T10:10:32,381 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz' 2025-08-31T10:10:32,382 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz' 2025-08-31T10:10:32,383 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz' 2025-08-31T10:10:32,384 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz' 2025-08-31T10:10:32,386 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz' 2025-08-31T10:10:32,387 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz' 2025-08-31T10:10:32,388 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz' 2025-08-31T10:10:32,389 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz' 2025-08-31T10:10:32,390 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz' 2025-08-31T10:10:32,392 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz' 2025-08-31T10:10:32,393 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz' 2025-08-31T10:10:32,394 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz' 2025-08-31T10:10:32,395 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz' 2025-08-31T10:10:32,396 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz' 2025-08-31T10:10:32,398 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz' 2025-08-31T10:10:32,399 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz' 2025-08-31T10:10:32,400 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz' 2025-08-31T10:10:32,401 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz' 2025-08-31T10:10:32,402 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz' 2025-08-31T10:10:32,404 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz' 2025-08-31T10:10:32,405 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz' 2025-08-31T10:10:32,406 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz' 2025-08-31T10:10:32,407 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz' 2025-08-31T10:10:32,408 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz' 2025-08-31T10:10:32,410 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz' 2025-08-31T10:10:32,412 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz' 2025-08-31T10:10:32,413 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz' 2025-08-31T10:10:32,414 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz' 2025-08-31T10:10:32,415 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz' 2025-08-31T10:10:32,417 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz' 2025-08-31T10:10:32,418 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz' 2025-08-31T10:10:32,420 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz' 2025-08-31T10:10:32,421 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz' 2025-08-31T10:10:32,422 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz' 2025-08-31T10:10:32,423 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz' 2025-08-31T10:10:32,424 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz' 2025-08-31T10:10:32,426 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz' 2025-08-31T10:10:32,427 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz' 2025-08-31T10:10:32,428 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz' 2025-08-31T10:10:32,429 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz' 2025-08-31T10:10:32,430 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz' 2025-08-31T10:10:32,432 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz' 2025-08-31T10:10:32,433 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz' 2025-08-31T10:10:32,435 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz' 2025-08-31T10:10:32,436 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz' 2025-08-31T10:10:32,437 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz' 2025-08-31T10:10:32,438 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz' 2025-08-31T10:10:32,439 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz' 2025-08-31T10:10:32,441 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz' 2025-08-31T10:10:32,442 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz' 2025-08-31T10:10:32,443 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz' 2025-08-31T10:10:32,444 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz' 2025-08-31T10:10:32,445 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz' 2025-08-31T10:10:32,446 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz' 2025-08-31T10:10:32,448 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz' 2025-08-31T10:10:32,449 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz' 2025-08-31T10:10:32,450 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz' 2025-08-31T10:10:32,451 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz' 2025-08-31T10:10:32,452 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz' 2025-08-31T10:10:32,454 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz' 2025-08-31T10:10:32,455 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz' 2025-08-31T10:10:32,456 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz' 2025-08-31T10:10:32,457 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz' 2025-08-31T10:10:32,458 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz' 2025-08-31T10:10:32,459 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz' 2025-08-31T10:10:32,461 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz' 2025-08-31T10:10:32,462 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz' 2025-08-31T10:10:32,463 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz' 2025-08-31T10:10:32,464 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz' 2025-08-31T10:10:32,465 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz' 2025-08-31T10:10:32,467 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz' 2025-08-31T10:10:32,468 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz' 2025-08-31T10:10:32,469 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz' 2025-08-31T10:10:32,470 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz' 2025-08-31T10:10:32,471 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz' 2025-08-31T10:10:32,472 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz' 2025-08-31T10:10:32,473 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz' 2025-08-31T10:10:32,475 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz' 2025-08-31T10:10:32,476 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz' 2025-08-31T10:10:32,477 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz' 2025-08-31T10:10:32,478 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz' 2025-08-31T10:10:32,479 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz' 2025-08-31T10:10:32,481 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz' 2025-08-31T10:10:32,483 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz' 2025-08-31T10:10:32,484 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz' 2025-08-31T10:10:32,485 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz' 2025-08-31T10:10:32,486 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz' 2025-08-31T10:10:32,487 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz' 2025-08-31T10:10:32,488 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz' 2025-08-31T10:10:32,489 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz' 2025-08-31T10:10:32,491 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz' 2025-08-31T10:10:32,492 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz' 2025-08-31T10:10:32,493 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz' 2025-08-31T10:10:32,494 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz' 2025-08-31T10:10:32,495 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz' 2025-08-31T10:10:32,496 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz' 2025-08-31T10:10:32,498 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz' 2025-08-31T10:10:32,499 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz' 2025-08-31T10:10:32,500 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz' 2025-08-31T10:10:32,501 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz' 2025-08-31T10:10:32,502 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz' 2025-08-31T10:10:32,504 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz' 2025-08-31T10:10:32,505 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz' 2025-08-31T10:10:32,507 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz' 2025-08-31T10:10:32,508 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz' 2025-08-31T10:10:32,509 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz' 2025-08-31T10:10:32,510 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz' 2025-08-31T10:10:32,511 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz' 2025-08-31T10:10:32,513 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz' 2025-08-31T10:10:32,514 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz' 2025-08-31T10:10:32,515 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz' 2025-08-31T10:10:32,516 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz' 2025-08-31T10:10:32,517 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz' 2025-08-31T10:10:32,518 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz' 2025-08-31T10:10:32,519 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz' 2025-08-31T10:10:32,520 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz' 2025-08-31T10:10:32,521 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz' 2025-08-31T10:10:32,523 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz' 2025-08-31T10:10:32,524 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz' 2025-08-31T10:10:32,525 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz' 2025-08-31T10:10:32,526 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz' 2025-08-31T10:10:32,529 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz' 2025-08-31T10:10:32,530 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz' 2025-08-31T10:10:32,531 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz' 2025-08-31T10:10:32,532 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz' 2025-08-31T10:10:32,533 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz' 2025-08-31T10:10:32,535 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz' 2025-08-31T10:10:32,536 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz' 2025-08-31T10:10:32,537 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz' 2025-08-31T10:10:32,538 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz' 2025-08-31T10:10:32,539 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz' 2025-08-31T10:10:32,540 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz' 2025-08-31T10:10:32,541 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz' 2025-08-31T10:10:32,543 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz' 2025-08-31T10:10:32,544 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz' 2025-08-31T10:10:32,545 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz' 2025-08-31T10:10:32,546 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz' 2025-08-31T10:10:32,547 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz' 2025-08-31T10:10:32,548 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz' 2025-08-31T10:10:32,550 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz' 2025-08-31T10:10:32,551 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz' 2025-08-31T10:10:32,552 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz' 2025-08-31T10:10:32,553 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz' 2025-08-31T10:10:32,555 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz' 2025-08-31T10:10:32,556 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz' 2025-08-31T10:10:32,557 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz' 2025-08-31T10:10:32,558 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz' 2025-08-31T10:10:32,559 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz' 2025-08-31T10:10:32,561 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz' 2025-08-31T10:10:32,562 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz' 2025-08-31T10:10:32,563 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz' 2025-08-31T10:10:32,564 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz' 2025-08-31T10:10:32,565 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz' 2025-08-31T10:10:32,566 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz' 2025-08-31T10:10:32,567 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz' 2025-08-31T10:10:32,569 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz' 2025-08-31T10:10:32,570 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz' 2025-08-31T10:10:32,571 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz' 2025-08-31T10:10:32,572 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz' 2025-08-31T10:10:32,573 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz' 2025-08-31T10:10:32,574 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz' 2025-08-31T10:10:32,575 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz' 2025-08-31T10:10:32,576 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz' 2025-08-31T10:10:32,577 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz' 2025-08-31T10:10:32,578 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz' 2025-08-31T10:10:32,579 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz' 2025-08-31T10:10:32,582 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz' 2025-08-31T10:10:32,583 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz' 2025-08-31T10:10:32,584 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz' 2025-08-31T10:10:32,585 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz' 2025-08-31T10:10:32,586 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz' 2025-08-31T10:10:32,587 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz' 2025-08-31T10:10:32,588 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz' 2025-08-31T10:10:32,589 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz' 2025-08-31T10:10:32,590 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz' 2025-08-31T10:10:32,592 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz' 2025-08-31T10:10:32,593 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz' 2025-08-31T10:10:32,594 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz' 2025-08-31T10:10:32,595 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz' 2025-08-31T10:10:32,596 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz' 2025-08-31T10:10:32,597 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz' 2025-08-31T10:10:32,598 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz' 2025-08-31T10:10:32,600 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz' 2025-08-31T10:10:32,601 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz' 2025-08-31T10:10:32,602 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz' 2025-08-31T10:10:32,603 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz' 2025-08-31T10:10:32,604 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz' 2025-08-31T10:10:32,605 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz' 2025-08-31T10:10:32,606 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz' 2025-08-31T10:10:32,607 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz' 2025-08-31T10:10:32,609 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz' 2025-08-31T10:10:32,610 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz' 2025-08-31T10:10:32,611 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz' 2025-08-31T10:10:32,615 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz' 2025-08-31T10:10:32,616 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz' 2025-08-31T10:10:32,617 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz' 2025-08-31T10:10:32,618 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz' 2025-08-31T10:10:32,619 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz' 2025-08-31T10:10:32,620 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz' 2025-08-31T10:10:32,621 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz' 2025-08-31T10:10:32,622 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz' 2025-08-31T10:10:32,623 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz' 2025-08-31T10:10:32,624 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz' 2025-08-31T10:10:32,625 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz' 2025-08-31T10:10:32,626 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz' 2025-08-31T10:10:32,627 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz' 2025-08-31T10:10:32,628 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz' 2025-08-31T10:10:32,629 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz' 2025-08-31T10:10:32,630 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz' 2025-08-31T10:10:32,631 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz' 2025-08-31T10:10:32,633 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz' 2025-08-31T10:10:32,634 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz' 2025-08-31T10:10:32,635 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz' 2025-08-31T10:10:32,636 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz' 2025-08-31T10:10:32,637 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz' 2025-08-31T10:10:32,638 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz' 2025-08-31T10:10:32,639 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz' 2025-08-31T10:10:32,640 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz' 2025-08-31T10:10:32,642 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz' 2025-08-31T10:10:32,643 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz' 2025-08-31T10:10:32,644 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz' 2025-08-31T10:10:32,645 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz' 2025-08-31T10:10:32,646 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz' 2025-08-31T10:10:32,648 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/131_cch_W4-11.xyz' 2025-08-31T10:10:32,649 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/132_ccl2_W4-11.xyz' 2025-08-31T10:10:32,650 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/133_c_W4-11.xyz' 2025-08-31T10:10:32,651 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/134_cf2_W4-11.xyz' 2025-08-31T10:10:32,652 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/135_cf4_W4-11.xyz' 2025-08-31T10:10:32,653 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/136_cf_W4-11.xyz' 2025-08-31T10:10:32,654 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/137_ch2c_W4-11.xyz' 2025-08-31T10:10:32,656 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/138_ch2ch_W4-11.xyz' 2025-08-31T10:10:32,657 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/139_ch2f2_W4-11.xyz' 2025-08-31T10:10:32,658 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/140_ch2nh2_W4-11.xyz' 2025-08-31T10:10:32,659 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/141_ch2nh_W4-11.xyz' 2025-08-31T10:10:32,660 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/142_ch2-sing_W4-11.xyz' 2025-08-31T10:10:32,661 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/143_ch2-trip_W4-11.xyz' 2025-08-31T10:10:32,663 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/144_ch3_W4-11.xyz' 2025-08-31T10:10:32,664 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/145_ch3f_W4-11.xyz' 2025-08-31T10:10:32,665 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/146_ch3nh2_W4-11.xyz' 2025-08-31T10:10:32,666 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/147_ch3nh_W4-11.xyz' 2025-08-31T10:10:32,667 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/148_ch4_W4-11.xyz' 2025-08-31T10:10:32,668 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/149_c-hcoh_W4-11.xyz' 2025-08-31T10:10:32,669 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/150_ch_W4-11.xyz' 2025-08-31T10:10:32,670 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/151_c-hono_W4-11.xyz' 2025-08-31T10:10:32,671 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/152_c-hooo_W4-11.xyz' 2025-08-31T10:10:32,672 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/153_cl2_W4-11.xyz' 2025-08-31T10:10:32,673 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/154_cl2o_W4-11.xyz' 2025-08-31T10:10:32,674 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/155_clcn_W4-11.xyz' 2025-08-31T10:10:32,675 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/156_cl_W4-11.xyz' 2025-08-31T10:10:32,676 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/157_clf_W4-11.xyz' 2025-08-31T10:10:32,677 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/158_clo_W4-11.xyz' 2025-08-31T10:10:32,678 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/159_cloo_W4-11.xyz' 2025-08-31T10:10:32,679 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/160_c-n2h2_W4-11.xyz' 2025-08-31T10:10:32,681 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/161_cn_W4-11.xyz' 2025-08-31T10:10:32,682 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/162_co2_W4-11.xyz' 2025-08-31T10:10:32,683 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/163_co_W4-11.xyz' 2025-08-31T10:10:32,684 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz' 2025-08-31T10:10:32,685 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz' 2025-08-31T10:10:32,686 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz' 2025-08-31T10:10:32,688 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz' 2025-08-31T10:10:32,689 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz' 2025-08-31T10:10:32,690 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz' 2025-08-31T10:10:32,691 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz' 2025-08-31T10:10:32,692 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz' 2025-08-31T10:10:32,694 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz' 2025-08-31T10:10:32,695 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz' 2025-08-31T10:10:32,696 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz' 2025-08-31T10:10:32,697 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz' 2025-08-31T10:10:32,698 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz' 2025-08-31T10:10:32,699 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz' 2025-08-31T10:10:32,701 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz' 2025-08-31T10:10:32,702 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz' 2025-08-31T10:10:32,703 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz' 2025-08-31T10:10:32,704 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz' 2025-08-31T10:10:32,705 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz' 2025-08-31T10:10:32,706 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz' 2025-08-31T10:10:32,707 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz' 2025-08-31T10:10:32,709 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz' 2025-08-31T10:10:32,710 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz' 2025-08-31T10:10:32,711 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz' 2025-08-31T10:10:32,712 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz' 2025-08-31T10:10:32,713 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz' 2025-08-31T10:10:32,714 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz' 2025-08-31T10:10:32,715 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz' 2025-08-31T10:10:32,716 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz' 2025-08-31T10:10:32,717 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz' 2025-08-31T10:10:32,718 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz' 2025-08-31T10:10:32,719 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz' 2025-08-31T10:10:32,720 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz' 2025-08-31T10:10:32,721 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/197_hof_W4-11.xyz' 2025-08-31T10:10:32,723 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/198_honc_W4-11.xyz' 2025-08-31T10:10:32,724 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/199_hoo_W4-11.xyz' 2025-08-31T10:10:32,725 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/200_hooh_W4-11.xyz' 2025-08-31T10:10:32,726 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/201_hs_W4-11.xyz' 2025-08-31T10:10:32,727 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/202_ketene_W4-11.xyz' 2025-08-31T10:10:32,728 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/203_methanol_W4-11.xyz' 2025-08-31T10:10:32,729 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/204_n2_W4-11.xyz' 2025-08-31T10:10:32,730 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/205_n2h4_W4-11.xyz' 2025-08-31T10:10:32,732 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/206_n2h_W4-11.xyz' 2025-08-31T10:10:32,733 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/207_n2o_W4-11.xyz' 2025-08-31T10:10:32,734 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/208_nccn_W4-11.xyz' 2025-08-31T10:10:32,735 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/209_n_W4-11.xyz' 2025-08-31T10:10:32,736 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/210_nh2cl_W4-11.xyz' 2025-08-31T10:10:32,737 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/211_nh2_W4-11.xyz' 2025-08-31T10:10:32,738 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/212_nh3_W4-11.xyz' 2025-08-31T10:10:32,739 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/213_nh_W4-11.xyz' 2025-08-31T10:10:32,740 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/214_no2_W4-11.xyz' 2025-08-31T10:10:32,741 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/215_no_W4-11.xyz' 2025-08-31T10:10:32,743 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/216_o2_W4-11.xyz' 2025-08-31T10:10:32,744 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/217_o3_W4-11.xyz' 2025-08-31T10:10:32,745 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/218_oclo_W4-11.xyz' 2025-08-31T10:10:32,746 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz' 2025-08-31T10:10:32,747 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz' 2025-08-31T10:10:32,748 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz' 2025-08-31T10:10:32,749 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz' 2025-08-31T10:10:32,750 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz' 2025-08-31T10:10:32,752 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz' 2025-08-31T10:10:32,753 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz' 2025-08-31T10:10:32,754 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz' 2025-08-31T10:10:32,755 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz' 2025-08-31T10:10:32,756 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz' 2025-08-31T10:10:32,757 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz' 2025-08-31T10:10:32,758 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz' 2025-08-31T10:10:32,760 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz' 2025-08-31T10:10:32,761 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz' 2025-08-31T10:10:32,762 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz' 2025-08-31T10:10:32,763 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz' 2025-08-31T10:10:32,764 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz' 2025-08-31T10:10:32,765 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz' 2025-08-31T10:10:32,766 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz' 2025-08-31T10:10:32,767 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz' 2025-08-31T10:10:32,768 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz' 2025-08-31T10:10:32,769 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz' 2025-08-31T10:10:32,770 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/241_sih3f_W4-11.xyz' 2025-08-31T10:10:32,771 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/242_sih4_W4-11.xyz' 2025-08-31T10:10:32,773 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/243_sih_W4-11.xyz' 2025-08-31T10:10:32,774 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/244_sio_W4-11.xyz' 2025-08-31T10:10:32,775 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/245_so2_W4-11.xyz' 2025-08-31T10:10:32,776 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/246_so3_W4-11.xyz' 2025-08-31T10:10:32,777 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/247_so_W4-11.xyz' 2025-08-31T10:10:32,778 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/248_ssh_W4-11.xyz' 2025-08-31T10:10:32,779 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/249_t-hcoh_W4-11.xyz' 2025-08-31T10:10:32,780 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/250_t-hono_W4-11.xyz' 2025-08-31T10:10:32,781 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/251_t-hooo_W4-11.xyz' 2025-08-31T10:10:32,783 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz' 2025-08-31T10:10:32,785 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz' 2025-08-31T10:10:32,786 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz' 2025-08-31T10:10:32,787 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz' 2025-08-31T10:10:32,788 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz' 2025-08-31T10:10:32,789 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz' 2025-08-31T10:10:32,790 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz' 2025-08-31T10:10:32,792 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz' 2025-08-31T10:10:32,793 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz' 2025-08-31T10:10:32,794 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz' 2025-08-31T10:10:32,795 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz' 2025-08-31T10:10:32,796 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz' 2025-08-31T10:10:32,798 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz' 2025-08-31T10:10:32,799 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz' 2025-08-31T10:10:32,800 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz' 2025-08-31T10:10:32,801 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz' 2025-08-31T10:10:32,802 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz' 2025-08-31T10:10:32,803 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz' 2025-08-31T10:10:32,805 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz' 2025-08-31T10:10:32,806 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz' 2025-08-31T10:10:32,807 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz' 2025-08-31T10:10:32,808 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz' 2025-08-31T10:10:32,809 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz' 2025-08-31T10:10:32,811 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz' 2025-08-31T10:10:32,812 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz' 2025-08-31T10:10:32,813 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz' 2025-08-31T10:10:32,814 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz' 2025-08-31T10:10:32,816 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz' 2025-08-31T10:10:32,817 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz' 2025-08-31T10:10:32,818 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz' 2025-08-31T10:10:32,819 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz' 2025-08-31T10:10:32,820 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz' 2025-08-31T10:10:32,821 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz' 2025-08-31T10:10:32,822 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz' 2025-08-31T10:10:32,823 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz' 2025-08-31T10:10:32,824 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz' 2025-08-31T10:10:32,825 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz' 2025-08-31T10:10:32,827 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz' 2025-08-31T10:10:32,828 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz' 2025-08-31T10:10:32,829 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz' 2025-08-31T10:10:32,830 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz' 2025-08-31T10:10:32,831 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz' 2025-08-31T10:10:32,832 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz' 2025-08-31T10:10:32,833 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz' 2025-08-31T10:10:32,834 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz' 2025-08-31T10:10:32,836 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz' 2025-08-31T10:10:32,837 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz' 2025-08-31T10:10:32,838 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz' 2025-08-31T10:10:32,839 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz' 2025-08-31T10:10:32,840 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz' 2025-08-31T10:10:32,841 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz' 2025-08-31T10:10:32,843 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz' 2025-08-31T10:10:32,844 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz' 2025-08-31T10:10:32,845 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz' 2025-08-31T10:10:32,846 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz' 2025-08-31T10:10:32,847 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz' 2025-08-31T10:10:32,848 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz' 2025-08-31T10:10:32,850 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz' 2025-08-31T10:10:32,851 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz' 2025-08-31T10:10:32,852 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz' 2025-08-31T10:10:32,853 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz' 2025-08-31T10:10:32,854 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz' 2025-08-31T10:10:32,855 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz' 2025-08-31T10:10:32,856 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz' 2025-08-31T10:10:32,858 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz' 2025-08-31T10:10:32,859 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz' 2025-08-31T10:10:32,860 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz' 2025-08-31T10:10:32,860 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz' 2025-08-31T10:10:32,861 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz' 2025-08-31T10:10:32,862 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz' 2025-08-31T10:10:32,864 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz' 2025-08-31T10:10:32,865 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz' 2025-08-31T10:10:32,866 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz' 2025-08-31T10:10:32,867 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz' 2025-08-31T10:10:32,868 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz' 2025-08-31T10:10:32,870 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz' 2025-08-31T10:10:32,871 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz' 2025-08-31T10:10:32,872 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz' 2025-08-31T10:10:32,873 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz' 2025-08-31T10:10:32,874 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz' 2025-08-31T10:10:32,875 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz' 2025-08-31T10:10:32,876 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz' 2025-08-31T10:10:32,879 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz' 2025-08-31T10:10:32,881 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz' 2025-08-31T10:10:32,882 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz' 2025-08-31T10:10:32,883 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz' 2025-08-31T10:10:32,884 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz' 2025-08-31T10:10:32,885 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz' 2025-08-31T10:10:32,886 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz' 2025-08-31T10:10:32,887 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz' 2025-08-31T10:10:32,889 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz' 2025-08-31T10:10:32,890 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz' 2025-08-31T10:10:32,891 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz' 2025-08-31T10:10:32,892 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz' 2025-08-31T10:10:32,893 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz' 2025-08-31T10:10:32,894 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz' 2025-08-31T10:10:32,895 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz' 2025-08-31T10:10:32,897 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz' 2025-08-31T10:10:32,898 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz' 2025-08-31T10:10:32,899 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz' 2025-08-31T10:10:32,900 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz' 2025-08-31T10:10:32,901 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz' 2025-08-31T10:10:32,902 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz' 2025-08-31T10:10:32,903 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz' 2025-08-31T10:10:32,904 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz' 2025-08-31T10:10:32,906 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz' 2025-08-31T10:10:32,907 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz' 2025-08-31T10:10:32,908 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz' 2025-08-31T10:10:32,909 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz' 2025-08-31T10:10:32,910 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz' 2025-08-31T10:10:32,911 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz' 2025-08-31T10:10:32,912 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz' 2025-08-31T10:10:32,913 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz' 2025-08-31T10:10:32,914 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz' 2025-08-31T10:10:32,915 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz' 2025-08-31T10:10:32,917 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz' 2025-08-31T10:10:32,918 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz' 2025-08-31T10:10:32,919 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz' 2025-08-31T10:10:32,920 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz' 2025-08-31T10:10:32,921 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz' 2025-08-31T10:10:32,922 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz' 2025-08-31T10:10:32,923 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz' 2025-08-31T10:10:32,925 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz' 2025-08-31T10:10:32,926 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz' 2025-08-31T10:10:32,927 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz' 2025-08-31T10:10:32,928 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz' 2025-08-31T10:10:32,929 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz' 2025-08-31T10:10:32,930 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz' 2025-08-31T10:10:32,931 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz' 2025-08-31T10:10:32,933 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz' 2025-08-31T10:10:32,934 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz' 2025-08-31T10:10:32,935 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz' 2025-08-31T10:10:32,936 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz' 2025-08-31T10:10:32,937 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz' 2025-08-31T10:10:32,939 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz' 2025-08-31T10:10:32,940 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz' 2025-08-31T10:10:32,941 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz' 2025-08-31T10:10:32,942 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz' 2025-08-31T10:10:32,944 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz' 2025-08-31T10:10:32,945 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz' 2025-08-31T10:10:32,946 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz' 2025-08-31T10:10:32,947 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz' 2025-08-31T10:10:32,948 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz' 2025-08-31T10:10:32,949 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz' 2025-08-31T10:10:32,950 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz' 2025-08-31T10:10:32,951 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz' 2025-08-31T10:10:32,952 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz' 2025-08-31T10:10:32,954 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz' 2025-08-31T10:10:32,955 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz' 2025-08-31T10:10:32,956 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz' 2025-08-31T10:10:32,957 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz' 2025-08-31T10:10:32,958 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz' 2025-08-31T10:10:32,959 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz' 2025-08-31T10:10:32,960 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz' 2025-08-31T10:10:32,961 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz' 2025-08-31T10:10:32,963 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz' 2025-08-31T10:10:32,964 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz' 2025-08-31T10:10:32,965 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz' 2025-08-31T10:10:32,966 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz' 2025-08-31T10:10:32,967 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz' 2025-08-31T10:10:32,968 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz' 2025-08-31T10:10:32,969 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz' 2025-08-31T10:10:32,971 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz' 2025-08-31T10:10:32,972 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz' 2025-08-31T10:10:32,973 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz' 2025-08-31T10:10:32,974 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz' 2025-08-31T10:10:32,975 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz' 2025-08-31T10:10:32,976 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz' 2025-08-31T10:10:32,977 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz' 2025-08-31T10:10:32,979 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz' 2025-08-31T10:10:32,980 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz' 2025-08-31T10:10:32,981 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz' 2025-08-31T10:10:32,982 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz' 2025-08-31T10:10:32,983 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz' 2025-08-31T10:10:32,984 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz' 2025-08-31T10:10:32,986 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz' 2025-08-31T10:10:32,987 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz' 2025-08-31T10:10:32,988 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz' 2025-08-31T10:10:32,989 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz' 2025-08-31T10:10:32,990 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz' 2025-08-31T10:10:32,991 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz' 2025-08-31T10:10:32,992 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz' 2025-08-31T10:10:32,993 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz' 2025-08-31T10:10:32,994 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz' 2025-08-31T10:10:32,995 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz' 2025-08-31T10:10:32,996 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz' 2025-08-31T10:10:32,997 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz' 2025-08-31T10:10:32,999 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz' 2025-08-31T10:10:33,000 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz' 2025-08-31T10:10:33,002 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz' 2025-08-31T10:10:33,003 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz' 2025-08-31T10:10:33,004 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz' 2025-08-31T10:10:33,005 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz' 2025-08-31T10:10:33,006 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz' 2025-08-31T10:10:33,007 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz' 2025-08-31T10:10:33,008 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz' 2025-08-31T10:10:33,009 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz' 2025-08-31T10:10:33,011 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz' 2025-08-31T10:10:33,012 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz' 2025-08-31T10:10:33,013 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz' 2025-08-31T10:10:33,014 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz' 2025-08-31T10:10:33,015 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz' 2025-08-31T10:10:33,016 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz' 2025-08-31T10:10:33,017 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz' 2025-08-31T10:10:33,019 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz' 2025-08-31T10:10:33,020 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz' 2025-08-31T10:10:33,021 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz' 2025-08-31T10:10:33,022 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz' 2025-08-31T10:10:33,023 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz' 2025-08-31T10:10:33,024 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz' 2025-08-31T10:10:33,026 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz' 2025-08-31T10:10:33,027 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz' 2025-08-31T10:10:33,028 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz' 2025-08-31T10:10:33,029 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz' 2025-08-31T10:10:33,030 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz' 2025-08-31T10:10:33,031 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz' 2025-08-31T10:10:33,032 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz' 2025-08-31T10:10:33,033 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz' 2025-08-31T10:10:33,035 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz' 2025-08-31T10:10:33,036 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz' 2025-08-31T10:10:33,037 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz' 2025-08-31T10:10:33,038 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz' 2025-08-31T10:10:33,039 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz' 2025-08-31T10:10:33,040 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz' 2025-08-31T10:10:33,050 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz' 2025-08-31T10:10:33,052 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz' 2025-08-31T10:10:33,053 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz' 2025-08-31T10:10:33,054 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,055 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz' 2025-08-31T10:10:33,056 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz' 2025-08-31T10:10:33,057 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz' 2025-08-31T10:10:33,058 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz' 2025-08-31T10:10:33,060 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz' 2025-08-31T10:10:33,061 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz' 2025-08-31T10:10:33,062 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz' 2025-08-31T10:10:33,063 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz' 2025-08-31T10:10:33,064 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz' 2025-08-31T10:10:33,065 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz' 2025-08-31T10:10:33,067 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz' 2025-08-31T10:10:33,068 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz' 2025-08-31T10:10:33,069 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz' 2025-08-31T10:10:33,070 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz' 2025-08-31T10:10:33,071 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz' 2025-08-31T10:10:33,073 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz' 2025-08-31T10:10:33,074 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz' 2025-08-31T10:10:33,075 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz' 2025-08-31T10:10:33,076 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz' 2025-08-31T10:10:33,077 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz' 2025-08-31T10:10:33,079 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz' 2025-08-31T10:10:33,080 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz' 2025-08-31T10:10:33,081 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz' 2025-08-31T10:10:33,082 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz' 2025-08-31T10:10:33,083 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz' 2025-08-31T10:10:33,085 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz' 2025-08-31T10:10:33,086 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz' 2025-08-31T10:10:33,087 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz' 2025-08-31T10:10:33,088 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz' 2025-08-31T10:10:33,090 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz' 2025-08-31T10:10:33,091 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz' 2025-08-31T10:10:33,092 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz' 2025-08-31T10:10:33,093 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz' 2025-08-31T10:10:33,094 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,095 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz' 2025-08-31T10:10:33,096 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz' 2025-08-31T10:10:33,097 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz' 2025-08-31T10:10:33,098 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,099 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz' 2025-08-31T10:10:33,100 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz' 2025-08-31T10:10:33,101 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz' 2025-08-31T10:10:33,103 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz' 2025-08-31T10:10:33,104 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz' 2025-08-31T10:10:33,105 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz' 2025-08-31T10:10:33,106 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz' 2025-08-31T10:10:33,107 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz' 2025-08-31T10:10:33,108 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz' 2025-08-31T10:10:33,109 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz' 2025-08-31T10:10:33,111 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz' 2025-08-31T10:10:33,112 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz' 2025-08-31T10:10:33,113 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz' 2025-08-31T10:10:33,114 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz' 2025-08-31T10:10:33,115 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz' 2025-08-31T10:10:33,116 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz' 2025-08-31T10:10:33,118 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz' 2025-08-31T10:10:33,119 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz' 2025-08-31T10:10:33,120 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz' 2025-08-31T10:10:33,121 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz' 2025-08-31T10:10:33,122 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz' 2025-08-31T10:10:33,124 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,125 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,126 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz' 2025-08-31T10:10:33,127 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz' 2025-08-31T10:10:33,129 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz' 2025-08-31T10:10:33,130 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,131 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz' 2025-08-31T10:10:33,132 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz' 2025-08-31T10:10:33,134 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz' 2025-08-31T10:10:33,135 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz' 2025-08-31T10:10:33,136 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz' 2025-08-31T10:10:33,137 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz' 2025-08-31T10:10:33,138 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz' 2025-08-31T10:10:33,139 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz' 2025-08-31T10:10:33,140 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz' 2025-08-31T10:10:33,141 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz' 2025-08-31T10:10:33,143 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz' 2025-08-31T10:10:33,144 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz' 2025-08-31T10:10:33,145 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz' 2025-08-31T10:10:33,146 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz' 2025-08-31T10:10:33,147 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz' 2025-08-31T10:10:33,149 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz' 2025-08-31T10:10:33,150 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz' 2025-08-31T10:10:33,151 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz' 2025-08-31T10:10:33,152 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz' 2025-08-31T10:10:33,153 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz' 2025-08-31T10:10:33,154 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz' 2025-08-31T10:10:33,156 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz' 2025-08-31T10:10:33,157 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz' 2025-08-31T10:10:33,158 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz' 2025-08-31T10:10:33,159 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz' 2025-08-31T10:10:33,160 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz' 2025-08-31T10:10:33,162 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz' 2025-08-31T10:10:33,163 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz' 2025-08-31T10:10:33,164 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz' 2025-08-31T10:10:33,165 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz' 2025-08-31T10:10:33,166 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz' 2025-08-31T10:10:33,168 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz' 2025-08-31T10:10:33,169 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz' 2025-08-31T10:10:33,170 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz' 2025-08-31T10:10:33,171 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,173 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz' 2025-08-31T10:10:33,174 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz' 2025-08-31T10:10:33,175 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz' 2025-08-31T10:10:33,176 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,178 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,179 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz' 2025-08-31T10:10:33,180 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz' 2025-08-31T10:10:33,181 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz' 2025-08-31T10:10:33,183 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz' 2025-08-31T10:10:33,185 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz' 2025-08-31T10:10:33,186 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz' 2025-08-31T10:10:33,187 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz' 2025-08-31T10:10:33,188 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz' 2025-08-31T10:10:33,189 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz' 2025-08-31T10:10:33,190 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz' 2025-08-31T10:10:33,191 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz' 2025-08-31T10:10:33,192 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz' 2025-08-31T10:10:33,194 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz' 2025-08-31T10:10:33,195 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz' 2025-08-31T10:10:33,196 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz' 2025-08-31T10:10:33,197 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz' 2025-08-31T10:10:33,198 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz' 2025-08-31T10:10:33,199 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,200 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz' 2025-08-31T10:10:33,202 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz' 2025-08-31T10:10:33,203 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz' 2025-08-31T10:10:33,204 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz' 2025-08-31T10:10:33,205 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,206 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz' 2025-08-31T10:10:33,207 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz' 2025-08-31T10:10:33,209 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz' 2025-08-31T10:10:33,210 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz' 2025-08-31T10:10:33,211 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,212 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz' 2025-08-31T10:10:33,213 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz' 2025-08-31T10:10:33,215 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz' 2025-08-31T10:10:33,216 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,217 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz' 2025-08-31T10:10:33,218 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz' 2025-08-31T10:10:33,220 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz' 2025-08-31T10:10:33,221 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz' 2025-08-31T10:10:33,222 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz' 2025-08-31T10:10:33,223 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz' 2025-08-31T10:10:33,224 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz' 2025-08-31T10:10:33,226 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz' 2025-08-31T10:10:33,227 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz' 2025-08-31T10:10:33,228 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz' 2025-08-31T10:10:33,229 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz' 2025-08-31T10:10:33,231 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz' 2025-08-31T10:10:33,232 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz' 2025-08-31T10:10:33,233 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz' 2025-08-31T10:10:33,234 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz' 2025-08-31T10:10:33,235 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz' 2025-08-31T10:10:33,236 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz' 2025-08-31T10:10:33,237 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz' 2025-08-31T10:10:33,239 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz' 2025-08-31T10:10:33,240 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz' 2025-08-31T10:10:33,241 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz' 2025-08-31T10:10:33,242 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,243 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz' 2025-08-31T10:10:33,245 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz' 2025-08-31T10:10:33,246 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz' 2025-08-31T10:10:33,247 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz' 2025-08-31T10:10:33,248 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,249 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz' 2025-08-31T10:10:33,251 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz' 2025-08-31T10:10:33,252 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz' 2025-08-31T10:10:33,253 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz' 2025-08-31T10:10:33,254 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz' 2025-08-31T10:10:33,256 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz' 2025-08-31T10:10:33,257 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz' 2025-08-31T10:10:33,258 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz' 2025-08-31T10:10:33,259 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz' 2025-08-31T10:10:33,260 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz' 2025-08-31T10:10:33,262 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz' 2025-08-31T10:10:33,263 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz' 2025-08-31T10:10:33,264 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz' 2025-08-31T10:10:33,265 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz' 2025-08-31T10:10:33,267 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz' 2025-08-31T10:10:33,268 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz' 2025-08-31T10:10:33,269 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz' 2025-08-31T10:10:33,270 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,272 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz' 2025-08-31T10:10:33,273 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz' 2025-08-31T10:10:33,275 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz' 2025-08-31T10:10:33,276 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz' 2025-08-31T10:10:33,277 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,278 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz' 2025-08-31T10:10:33,279 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz' 2025-08-31T10:10:33,281 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz' 2025-08-31T10:10:33,282 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,283 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz' 2025-08-31T10:10:33,284 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz' 2025-08-31T10:10:33,285 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz' 2025-08-31T10:10:33,286 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz' 2025-08-31T10:10:33,287 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz' 2025-08-31T10:10:33,289 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz' 2025-08-31T10:10:33,290 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz' 2025-08-31T10:10:33,291 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz' 2025-08-31T10:10:33,292 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz' 2025-08-31T10:10:33,293 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz' 2025-08-31T10:10:33,295 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz' 2025-08-31T10:10:33,296 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz' 2025-08-31T10:10:33,297 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz' 2025-08-31T10:10:33,298 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz' 2025-08-31T10:10:33,300 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz' 2025-08-31T10:10:33,301 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz' 2025-08-31T10:10:33,302 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz' 2025-08-31T10:10:33,303 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz' 2025-08-31T10:10:33,305 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz' 2025-08-31T10:10:33,306 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz' 2025-08-31T10:10:33,307 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz' 2025-08-31T10:10:33,308 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz' 2025-08-31T10:10:33,310 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz' 2025-08-31T10:10:33,311 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz' 2025-08-31T10:10:33,312 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz' 2025-08-31T10:10:33,313 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz' 2025-08-31T10:10:33,315 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,316 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz' 2025-08-31T10:10:33,317 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz' 2025-08-31T10:10:33,318 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz' 2025-08-31T10:10:33,320 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,321 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz' 2025-08-31T10:10:33,322 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz' 2025-08-31T10:10:33,323 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz' 2025-08-31T10:10:33,325 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,326 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz' 2025-08-31T10:10:33,327 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz' 2025-08-31T10:10:33,328 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz' 2025-08-31T10:10:33,329 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz' 2025-08-31T10:10:33,330 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz' 2025-08-31T10:10:33,332 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz' 2025-08-31T10:10:33,333 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz' 2025-08-31T10:10:33,334 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz' 2025-08-31T10:10:33,335 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz' 2025-08-31T10:10:33,336 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz' 2025-08-31T10:10:33,337 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz' 2025-08-31T10:10:33,339 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz' 2025-08-31T10:10:33,340 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz' 2025-08-31T10:10:33,341 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz' 2025-08-31T10:10:33,342 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz' 2025-08-31T10:10:33,343 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz' 2025-08-31T10:10:33,345 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz' 2025-08-31T10:10:33,346 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz' 2025-08-31T10:10:33,347 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz' 2025-08-31T10:10:33,348 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz' 2025-08-31T10:10:33,349 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz' 2025-08-31T10:10:33,351 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz' 2025-08-31T10:10:33,352 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz' 2025-08-31T10:10:33,353 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz' 2025-08-31T10:10:33,354 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz' 2025-08-31T10:10:33,356 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz' 2025-08-31T10:10:33,357 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz' 2025-08-31T10:10:33,358 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz' 2025-08-31T10:10:33,359 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz' 2025-08-31T10:10:33,361 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz' 2025-08-31T10:10:33,362 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz' 2025-08-31T10:10:33,363 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz' 2025-08-31T10:10:33,364 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz' 2025-08-31T10:10:33,366 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz' 2025-08-31T10:10:33,367 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,368 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz' 2025-08-31T10:10:33,369 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz' 2025-08-31T10:10:33,370 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz' 2025-08-31T10:10:33,372 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,373 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz' 2025-08-31T10:10:33,374 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz' 2025-08-31T10:10:33,375 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz' 2025-08-31T10:10:33,377 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz' 2025-08-31T10:10:33,378 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz' 2025-08-31T10:10:33,379 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz' 2025-08-31T10:10:33,380 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz' 2025-08-31T10:10:33,381 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz' 2025-08-31T10:10:33,382 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz' 2025-08-31T10:10:33,384 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz' 2025-08-31T10:10:33,385 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz' 2025-08-31T10:10:33,386 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz' 2025-08-31T10:10:33,387 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz' 2025-08-31T10:10:33,388 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz' 2025-08-31T10:10:33,390 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz' 2025-08-31T10:10:33,391 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz' 2025-08-31T10:10:33,392 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz' 2025-08-31T10:10:33,393 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz' 2025-08-31T10:10:33,394 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz' 2025-08-31T10:10:33,396 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz' 2025-08-31T10:10:33,397 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz' 2025-08-31T10:10:33,398 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz' 2025-08-31T10:10:33,399 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz' 2025-08-31T10:10:33,401 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz' 2025-08-31T10:10:33,402 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz' 2025-08-31T10:10:33,403 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz' 2025-08-31T10:10:33,404 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz' 2025-08-31T10:10:33,406 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz' 2025-08-31T10:10:33,407 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz' 2025-08-31T10:10:33,408 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz' 2025-08-31T10:10:33,409 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz' 2025-08-31T10:10:33,411 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz' 2025-08-31T10:10:33,412 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz' 2025-08-31T10:10:33,413 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz' 2025-08-31T10:10:33,415 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz' 2025-08-31T10:10:33,416 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz' 2025-08-31T10:10:33,417 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz' 2025-08-31T10:10:33,418 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz' 2025-08-31T10:10:33,420 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz' 2025-08-31T10:10:33,421 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz' 2025-08-31T10:10:33,422 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz' 2025-08-31T10:10:33,423 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz' 2025-08-31T10:10:33,425 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz' 2025-08-31T10:10:33,426 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz' 2025-08-31T10:10:33,427 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz' 2025-08-31T10:10:33,428 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz' 2025-08-31T10:10:33,429 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz' 2025-08-31T10:10:33,430 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz' 2025-08-31T10:10:33,432 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz' 2025-08-31T10:10:33,433 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz' 2025-08-31T10:10:33,434 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz' 2025-08-31T10:10:33,436 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz' 2025-08-31T10:10:33,437 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz' 2025-08-31T10:10:33,438 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz' 2025-08-31T10:10:33,439 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz' 2025-08-31T10:10:33,440 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz' 2025-08-31T10:10:33,442 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz' 2025-08-31T10:10:33,443 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,444 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz' 2025-08-31T10:10:33,445 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz' 2025-08-31T10:10:33,447 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz' 2025-08-31T10:10:33,448 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz' 2025-08-31T10:10:33,449 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,450 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz' 2025-08-31T10:10:33,452 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz' 2025-08-31T10:10:33,453 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz' 2025-08-31T10:10:33,454 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz' 2025-08-31T10:10:33,456 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz' 2025-08-31T10:10:33,457 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz' 2025-08-31T10:10:33,458 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz' 2025-08-31T10:10:33,459 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz' 2025-08-31T10:10:33,461 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz' 2025-08-31T10:10:33,462 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz' 2025-08-31T10:10:33,463 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz' 2025-08-31T10:10:33,465 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz' 2025-08-31T10:10:33,466 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz' 2025-08-31T10:10:33,467 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz' 2025-08-31T10:10:33,469 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz' 2025-08-31T10:10:33,470 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz' 2025-08-31T10:10:33,471 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz' 2025-08-31T10:10:33,472 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz' 2025-08-31T10:10:33,474 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz' 2025-08-31T10:10:33,475 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz' 2025-08-31T10:10:33,476 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz' 2025-08-31T10:10:33,477 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz' 2025-08-31T10:10:33,478 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz' 2025-08-31T10:10:33,480 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz' 2025-08-31T10:10:33,481 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz' 2025-08-31T10:10:33,482 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz' 2025-08-31T10:10:33,483 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz' 2025-08-31T10:10:33,485 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,486 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz' 2025-08-31T10:10:33,487 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz' 2025-08-31T10:10:33,488 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz' 2025-08-31T10:10:33,489 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz' 2025-08-31T10:10:33,491 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz' 2025-08-31T10:10:33,492 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,493 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz' 2025-08-31T10:10:33,494 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz' 2025-08-31T10:10:33,496 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz' 2025-08-31T10:10:33,497 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,498 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz' 2025-08-31T10:10:33,499 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz' 2025-08-31T10:10:33,501 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz' 2025-08-31T10:10:33,502 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz' 2025-08-31T10:10:33,503 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz' 2025-08-31T10:10:33,505 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz' 2025-08-31T10:10:33,506 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz' 2025-08-31T10:10:33,507 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz' 2025-08-31T10:10:33,508 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz' 2025-08-31T10:10:33,510 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz' 2025-08-31T10:10:33,511 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz' 2025-08-31T10:10:33,512 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz' 2025-08-31T10:10:33,513 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz' 2025-08-31T10:10:33,515 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz' 2025-08-31T10:10:33,516 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz' 2025-08-31T10:10:33,517 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz' 2025-08-31T10:10:33,518 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz' 2025-08-31T10:10:33,520 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz' 2025-08-31T10:10:33,521 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz' 2025-08-31T10:10:33,522 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz' 2025-08-31T10:10:33,523 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz' 2025-08-31T10:10:33,524 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz' 2025-08-31T10:10:33,525 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz' 2025-08-31T10:10:33,527 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,528 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz' 2025-08-31T10:10:33,529 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz' 2025-08-31T10:10:33,530 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz' 2025-08-31T10:10:33,532 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz' 2025-08-31T10:10:33,533 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,534 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz' 2025-08-31T10:10:33,535 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz' 2025-08-31T10:10:33,536 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz' 2025-08-31T10:10:33,537 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz' 2025-08-31T10:10:33,539 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz' 2025-08-31T10:10:33,540 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz' 2025-08-31T10:10:33,541 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz' 2025-08-31T10:10:33,542 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz' 2025-08-31T10:10:33,543 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz' 2025-08-31T10:10:33,545 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz' 2025-08-31T10:10:33,546 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz' 2025-08-31T10:10:33,547 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz' 2025-08-31T10:10:33,548 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz' 2025-08-31T10:10:33,550 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,551 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz' 2025-08-31T10:10:33,552 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz' 2025-08-31T10:10:33,553 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz' 2025-08-31T10:10:33,555 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz' 2025-08-31T10:10:33,556 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,557 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz' 2025-08-31T10:10:33,558 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz' 2025-08-31T10:10:33,559 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz' 2025-08-31T10:10:33,561 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz' 2025-08-31T10:10:33,562 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz' 2025-08-31T10:10:33,563 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz' 2025-08-31T10:10:33,565 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz' 2025-08-31T10:10:33,566 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz' 2025-08-31T10:10:33,567 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz' 2025-08-31T10:10:33,568 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz' 2025-08-31T10:10:33,569 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz' 2025-08-31T10:10:33,571 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz' 2025-08-31T10:10:33,572 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz' 2025-08-31T10:10:33,573 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz' 2025-08-31T10:10:33,574 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz' 2025-08-31T10:10:33,575 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz' 2025-08-31T10:10:33,577 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz' 2025-08-31T10:10:33,578 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz' 2025-08-31T10:10:33,579 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz' 2025-08-31T10:10:33,580 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz' 2025-08-31T10:10:33,582 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz' 2025-08-31T10:10:33,583 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz' 2025-08-31T10:10:33,584 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz' 2025-08-31T10:10:33,585 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,586 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz' 2025-08-31T10:10:33,588 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz' 2025-08-31T10:10:33,589 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz' 2025-08-31T10:10:33,590 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,591 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz' 2025-08-31T10:10:33,593 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz' 2025-08-31T10:10:33,594 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz' 2025-08-31T10:10:33,595 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz' 2025-08-31T10:10:33,596 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz' 2025-08-31T10:10:33,598 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz' 2025-08-31T10:10:33,599 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz' 2025-08-31T10:10:33,600 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz' 2025-08-31T10:10:33,601 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz' 2025-08-31T10:10:33,603 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz' 2025-08-31T10:10:33,604 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz' 2025-08-31T10:10:33,605 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz' 2025-08-31T10:10:33,606 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz' 2025-08-31T10:10:33,608 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,609 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz' 2025-08-31T10:10:33,610 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz' 2025-08-31T10:10:33,611 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz' 2025-08-31T10:10:33,612 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz' 2025-08-31T10:10:33,614 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,615 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz' 2025-08-31T10:10:33,616 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz' 2025-08-31T10:10:33,617 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz' 2025-08-31T10:10:33,618 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz' 2025-08-31T10:10:33,619 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz' 2025-08-31T10:10:33,620 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz' 2025-08-31T10:10:33,622 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz' 2025-08-31T10:10:33,623 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz' 2025-08-31T10:10:33,624 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz' 2025-08-31T10:10:33,625 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz' 2025-08-31T10:10:33,626 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz' 2025-08-31T10:10:33,627 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz' 2025-08-31T10:10:33,628 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz' 2025-08-31T10:10:33,630 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz' 2025-08-31T10:10:33,631 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz' 2025-08-31T10:10:33,632 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz' 2025-08-31T10:10:33,633 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz' 2025-08-31T10:10:33,634 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz' 2025-08-31T10:10:33,636 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz' 2025-08-31T10:10:33,637 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz' 2025-08-31T10:10:33,638 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz' 2025-08-31T10:10:33,639 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz' 2025-08-31T10:10:33,640 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz' 2025-08-31T10:10:33,642 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz' 2025-08-31T10:10:33,643 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz' 2025-08-31T10:10:33,644 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz' 2025-08-31T10:10:33,645 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz' 2025-08-31T10:10:33,646 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz' 2025-08-31T10:10:33,648 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz' 2025-08-31T10:10:33,649 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz' 2025-08-31T10:10:33,650 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz' 2025-08-31T10:10:33,651 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz' 2025-08-31T10:10:33,652 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz' 2025-08-31T10:10:33,654 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz' 2025-08-31T10:10:33,655 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz' 2025-08-31T10:10:33,656 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz' 2025-08-31T10:10:33,657 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz' 2025-08-31T10:10:33,658 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz' 2025-08-31T10:10:33,660 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz' 2025-08-31T10:10:33,661 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz' 2025-08-31T10:10:33,662 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz' 2025-08-31T10:10:33,663 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,664 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz' 2025-08-31T10:10:33,665 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz' 2025-08-31T10:10:33,667 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz' 2025-08-31T10:10:33,668 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz' 2025-08-31T10:10:33,669 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz' 2025-08-31T10:10:33,670 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz' 2025-08-31T10:10:33,671 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz' 2025-08-31T10:10:33,672 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz' 2025-08-31T10:10:33,673 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz' 2025-08-31T10:10:33,674 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz' 2025-08-31T10:10:33,675 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz' 2025-08-31T10:10:33,677 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz' 2025-08-31T10:10:33,678 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz' 2025-08-31T10:10:33,679 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz' 2025-08-31T10:10:33,681 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz' 2025-08-31T10:10:33,682 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz' 2025-08-31T10:10:33,683 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz' 2025-08-31T10:10:33,684 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz' 2025-08-31T10:10:33,685 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz' 2025-08-31T10:10:33,687 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz' 2025-08-31T10:10:33,697 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz' 2025-08-31T10:10:33,698 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz' 2025-08-31T10:10:33,699 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz' 2025-08-31T10:10:33,700 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz' 2025-08-31T10:10:33,701 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz' 2025-08-31T10:10:33,702 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz' 2025-08-31T10:10:33,703 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz' 2025-08-31T10:10:33,705 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz' 2025-08-31T10:10:33,706 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz' 2025-08-31T10:10:33,707 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz' 2025-08-31T10:10:33,708 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz' 2025-08-31T10:10:33,709 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz' 2025-08-31T10:10:33,710 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz' 2025-08-31T10:10:33,712 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz' 2025-08-31T10:10:33,713 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz' 2025-08-31T10:10:33,714 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz' 2025-08-31T10:10:33,715 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz' 2025-08-31T10:10:33,716 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz' 2025-08-31T10:10:33,717 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz' 2025-08-31T10:10:33,718 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz' 2025-08-31T10:10:33,719 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz' 2025-08-31T10:10:33,720 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz' 2025-08-31T10:10:33,722 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz' 2025-08-31T10:10:33,723 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz' 2025-08-31T10:10:33,724 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz' 2025-08-31T10:10:33,725 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz' 2025-08-31T10:10:33,726 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz' 2025-08-31T10:10:33,727 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz' 2025-08-31T10:10:33,728 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz' 2025-08-31T10:10:33,729 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz' 2025-08-31T10:10:33,730 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz' 2025-08-31T10:10:33,731 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz' 2025-08-31T10:10:33,732 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz' 2025-08-31T10:10:33,733 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz' 2025-08-31T10:10:33,734 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz' 2025-08-31T10:10:33,735 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz' 2025-08-31T10:10:33,736 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz' 2025-08-31T10:10:33,737 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz' 2025-08-31T10:10:33,738 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz' 2025-08-31T10:10:33,740 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz' 2025-08-31T10:10:33,741 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz' 2025-08-31T10:10:33,742 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz' 2025-08-31T10:10:33,743 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAB_3B-69.xyz' 2025-08-31T10:10:33,744 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAC_3B-69.xyz' 2025-08-31T10:10:33,747 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimBC_3B-69.xyz' 2025-08-31T10:10:33,748 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monA_3B-69.xyz' 2025-08-31T10:10:33,749 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monB_3B-69.xyz' 2025-08-31T10:10:33,750 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monC_3B-69.xyz' 2025-08-31T10:10:33,751 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_trim_3B-69.xyz' 2025-08-31T10:10:33,753 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAB_3B-69.xyz' 2025-08-31T10:10:33,754 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAC_3B-69.xyz' 2025-08-31T10:10:33,755 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimBC_3B-69.xyz' 2025-08-31T10:10:33,756 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monA_3B-69.xyz' 2025-08-31T10:10:33,757 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monB_3B-69.xyz' 2025-08-31T10:10:33,758 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monC_3B-69.xyz' 2025-08-31T10:10:33,759 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_trim_3B-69.xyz' 2025-08-31T10:10:33,761 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAB_3B-69.xyz' 2025-08-31T10:10:33,762 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAC_3B-69.xyz' 2025-08-31T10:10:33,763 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimBC_3B-69.xyz' 2025-08-31T10:10:33,764 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monA_3B-69.xyz' 2025-08-31T10:10:33,765 adding 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'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz' 2025-08-31T10:10:33,808 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz' 2025-08-31T10:10:33,809 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz' 2025-08-31T10:10:33,810 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz' 2025-08-31T10:10:33,811 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz' 2025-08-31T10:10:33,812 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz' 2025-08-31T10:10:33,813 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz' 2025-08-31T10:10:33,814 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz' 2025-08-31T10:10:33,815 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz' 2025-08-31T10:10:33,817 adding 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2025-08-31T10:10:33,828 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monA_3B-69.xyz' 2025-08-31T10:10:33,829 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monB_3B-69.xyz' 2025-08-31T10:10:33,830 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monC_3B-69.xyz' 2025-08-31T10:10:33,832 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_trim_3B-69.xyz' 2025-08-31T10:10:33,833 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAB_3B-69.xyz' 2025-08-31T10:10:33,834 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAC_3B-69.xyz' 2025-08-31T10:10:33,835 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimBC_3B-69.xyz' 2025-08-31T10:10:33,836 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monA_3B-69.xyz' 2025-08-31T10:10:33,838 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monB_3B-69.xyz' 2025-08-31T10:10:33,839 adding 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2025-08-31T10:10:33,851 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAC_3B-69.xyz' 2025-08-31T10:10:33,852 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimBC_3B-69.xyz' 2025-08-31T10:10:33,853 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monA_3B-69.xyz' 2025-08-31T10:10:33,854 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monB_3B-69.xyz' 2025-08-31T10:10:33,855 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monC_3B-69.xyz' 2025-08-31T10:10:33,856 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_trim_3B-69.xyz' 2025-08-31T10:10:33,857 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAB_3B-69.xyz' 2025-08-31T10:10:33,858 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAC_3B-69.xyz' 2025-08-31T10:10:33,859 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimBC_3B-69.xyz' 2025-08-31T10:10:33,860 adding 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'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAB_3B-69.xyz' 2025-08-31T10:10:33,882 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAC_3B-69.xyz' 2025-08-31T10:10:33,884 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimBC_3B-69.xyz' 2025-08-31T10:10:33,885 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monA_3B-69.xyz' 2025-08-31T10:10:33,886 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monB_3B-69.xyz' 2025-08-31T10:10:33,887 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monC_3B-69.xyz' 2025-08-31T10:10:33,888 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_trim_3B-69.xyz' 2025-08-31T10:10:33,890 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz' 2025-08-31T10:10:33,891 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz' 2025-08-31T10:10:33,892 adding 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adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz' 2025-08-31T10:10:33,905 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz' 2025-08-31T10:10:33,906 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz' 2025-08-31T10:10:33,907 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz' 2025-08-31T10:10:33,908 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz' 2025-08-31T10:10:33,909 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz' 2025-08-31T10:10:33,910 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz' 2025-08-31T10:10:33,911 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz' 2025-08-31T10:10:33,912 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz' 2025-08-31T10:10:33,914 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz' 2025-08-31T10:10:33,915 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz' 2025-08-31T10:10:33,916 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz' 2025-08-31T10:10:33,917 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz' 2025-08-31T10:10:33,918 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz' 2025-08-31T10:10:33,919 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz' 2025-08-31T10:10:33,921 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz' 2025-08-31T10:10:33,922 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz' 2025-08-31T10:10:33,923 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz' 2025-08-31T10:10:33,924 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz' 2025-08-31T10:10:33,925 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monA_3B-69.xyz' 2025-08-31T10:10:33,927 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monB_3B-69.xyz' 2025-08-31T10:10:33,928 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monC_3B-69.xyz' 2025-08-31T10:10:33,929 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_trim_3B-69.xyz' 2025-08-31T10:10:33,930 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAB_3B-69.xyz' 2025-08-31T10:10:33,931 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAC_3B-69.xyz' 2025-08-31T10:10:33,932 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimBC_3B-69.xyz' 2025-08-31T10:10:33,934 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monA_3B-69.xyz' 2025-08-31T10:10:33,935 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monB_3B-69.xyz' 2025-08-31T10:10:33,936 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monC_3B-69.xyz' 2025-08-31T10:10:33,937 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz' 2025-08-31T10:10:33,938 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz' 2025-08-31T10:10:33,940 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz' 2025-08-31T10:10:33,941 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz' 2025-08-31T10:10:33,942 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz' 2025-08-31T10:10:33,943 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz' 2025-08-31T10:10:33,945 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz' 2025-08-31T10:10:33,946 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz' 2025-08-31T10:10:33,947 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz' 2025-08-31T10:10:33,948 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz' 2025-08-31T10:10:33,949 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz' 2025-08-31T10:10:33,951 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz' 2025-08-31T10:10:33,952 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz' 2025-08-31T10:10:33,953 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz' 2025-08-31T10:10:33,955 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz' 2025-08-31T10:10:33,956 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz' 2025-08-31T10:10:33,957 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz' 2025-08-31T10:10:33,958 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz' 2025-08-31T10:10:33,959 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz' 2025-08-31T10:10:33,960 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monB_3B-69.xyz' 2025-08-31T10:10:33,961 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monC_3B-69.xyz' 2025-08-31T10:10:33,963 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_trim_3B-69.xyz' 2025-08-31T10:10:33,964 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAB_3B-69.xyz' 2025-08-31T10:10:33,965 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAC_3B-69.xyz' 2025-08-31T10:10:33,966 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimBC_3B-69.xyz' 2025-08-31T10:10:33,967 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monA_3B-69.xyz' 2025-08-31T10:10:33,969 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monB_3B-69.xyz' 2025-08-31T10:10:33,970 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monC_3B-69.xyz' 2025-08-31T10:10:33,971 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_trim_3B-69.xyz' 2025-08-31T10:10:33,972 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz' 2025-08-31T10:10:33,973 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz' 2025-08-31T10:10:33,974 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz' 2025-08-31T10:10:33,976 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz' 2025-08-31T10:10:33,977 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz' 2025-08-31T10:10:33,978 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz' 2025-08-31T10:10:33,979 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz' 2025-08-31T10:10:33,980 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz' 2025-08-31T10:10:33,981 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz' 2025-08-31T10:10:33,983 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz' 2025-08-31T10:10:33,984 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monA_3B-69.xyz' 2025-08-31T10:10:33,985 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monB_3B-69.xyz' 2025-08-31T10:10:33,986 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monC_3B-69.xyz' 2025-08-31T10:10:33,987 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_trim_3B-69.xyz' 2025-08-31T10:10:33,988 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAB_3B-69.xyz' 2025-08-31T10:10:33,989 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAC_3B-69.xyz' 2025-08-31T10:10:33,991 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimBC_3B-69.xyz' 2025-08-31T10:10:33,992 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monA_3B-69.xyz' 2025-08-31T10:10:33,993 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monB_3B-69.xyz' 2025-08-31T10:10:33,994 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monC_3B-69.xyz' 2025-08-31T10:10:33,995 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_trim_3B-69.xyz' 2025-08-31T10:10:33,996 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAB_3B-69.xyz' 2025-08-31T10:10:33,997 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAC_3B-69.xyz' 2025-08-31T10:10:33,998 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimBC_3B-69.xyz' 2025-08-31T10:10:33,999 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monA_3B-69.xyz' 2025-08-31T10:10:34,000 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monB_3B-69.xyz' 2025-08-31T10:10:34,001 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monC_3B-69.xyz' 2025-08-31T10:10:34,003 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_trim_3B-69.xyz' 2025-08-31T10:10:34,004 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAB_3B-69.xyz' 2025-08-31T10:10:34,005 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAC_3B-69.xyz' 2025-08-31T10:10:34,006 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimBC_3B-69.xyz' 2025-08-31T10:10:34,007 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monA_3B-69.xyz' 2025-08-31T10:10:34,008 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monB_3B-69.xyz' 2025-08-31T10:10:34,009 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monC_3B-69.xyz' 2025-08-31T10:10:34,010 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_trim_3B-69.xyz' 2025-08-31T10:10:34,012 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAB_3B-69.xyz' 2025-08-31T10:10:34,013 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAC_3B-69.xyz' 2025-08-31T10:10:34,014 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimBC_3B-69.xyz' 2025-08-31T10:10:34,015 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monA_3B-69.xyz' 2025-08-31T10:10:34,017 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monB_3B-69.xyz' 2025-08-31T10:10:34,018 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz' 2025-08-31T10:10:34,019 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz' 2025-08-31T10:10:34,020 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz' 2025-08-31T10:10:34,021 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz' 2025-08-31T10:10:34,023 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz' 2025-08-31T10:10:34,024 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz' 2025-08-31T10:10:34,025 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz' 2025-08-31T10:10:34,026 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz' 2025-08-31T10:10:34,028 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz' 2025-08-31T10:10:34,029 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAB_3B-69.xyz' 2025-08-31T10:10:34,030 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAC_3B-69.xyz' 2025-08-31T10:10:34,031 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimBC_3B-69.xyz' 2025-08-31T10:10:34,032 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monA_3B-69.xyz' 2025-08-31T10:10:34,034 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monB_3B-69.xyz' 2025-08-31T10:10:34,035 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monC_3B-69.xyz' 2025-08-31T10:10:34,036 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_trim_3B-69.xyz' 2025-08-31T10:10:34,037 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAB_3B-69.xyz' 2025-08-31T10:10:34,038 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAC_3B-69.xyz' 2025-08-31T10:10:34,039 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimBC_3B-69.xyz' 2025-08-31T10:10:34,040 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monA_3B-69.xyz' 2025-08-31T10:10:34,041 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monB_3B-69.xyz' 2025-08-31T10:10:34,042 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monC_3B-69.xyz' 2025-08-31T10:10:34,044 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_trim_3B-69.xyz' 2025-08-31T10:10:34,045 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAB_3B-69.xyz' 2025-08-31T10:10:34,046 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAC_3B-69.xyz' 2025-08-31T10:10:34,047 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimBC_3B-69.xyz' 2025-08-31T10:10:34,048 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monA_3B-69.xyz' 2025-08-31T10:10:34,049 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz' 2025-08-31T10:10:34,050 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz' 2025-08-31T10:10:34,052 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz' 2025-08-31T10:10:34,053 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz' 2025-08-31T10:10:34,054 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz' 2025-08-31T10:10:34,055 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz' 2025-08-31T10:10:34,056 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz' 2025-08-31T10:10:34,057 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz' 2025-08-31T10:10:34,059 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz' 2025-08-31T10:10:34,060 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz' 2025-08-31T10:10:34,061 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz' 2025-08-31T10:10:34,062 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz' 2025-08-31T10:10:34,063 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz' 2025-08-31T10:10:34,065 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz' 2025-08-31T10:10:34,066 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz' 2025-08-31T10:10:34,067 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz' 2025-08-31T10:10:34,068 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz' 2025-08-31T10:10:34,069 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz' 2025-08-31T10:10:34,070 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAC_3B-69.xyz' 2025-08-31T10:10:34,072 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimBC_3B-69.xyz' 2025-08-31T10:10:34,073 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monA_3B-69.xyz' 2025-08-31T10:10:34,074 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monB_3B-69.xyz' 2025-08-31T10:10:34,075 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monC_3B-69.xyz' 2025-08-31T10:10:34,076 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_trim_3B-69.xyz' 2025-08-31T10:10:34,078 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAB_3B-69.xyz' 2025-08-31T10:10:34,079 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAC_3B-69.xyz' 2025-08-31T10:10:34,080 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimBC_3B-69.xyz' 2025-08-31T10:10:34,081 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz' 2025-08-31T10:10:34,082 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz' 2025-08-31T10:10:34,083 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz' 2025-08-31T10:10:34,084 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz' 2025-08-31T10:10:34,085 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz' 2025-08-31T10:10:34,086 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz' 2025-08-31T10:10:34,087 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz' 2025-08-31T10:10:34,089 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz' 2025-08-31T10:10:34,090 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz' 2025-08-31T10:10:34,091 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz' 2025-08-31T10:10:34,092 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz' 2025-08-31T10:10:34,093 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz' 2025-08-31T10:10:34,095 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz' 2025-08-31T10:10:34,096 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz' 2025-08-31T10:10:34,097 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz' 2025-08-31T10:10:34,098 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz' 2025-08-31T10:10:34,100 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz' 2025-08-31T10:10:34,101 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz' 2025-08-31T10:10:34,102 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz' 2025-08-31T10:10:34,103 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz' 2025-08-31T10:10:34,104 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz' 2025-08-31T10:10:34,106 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz' 2025-08-31T10:10:34,107 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz' 2025-08-31T10:10:34,108 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz' 2025-08-31T10:10:34,109 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz' 2025-08-31T10:10:34,110 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAB_3B-69.xyz' 2025-08-31T10:10:34,111 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAC_3B-69.xyz' 2025-08-31T10:10:34,113 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimBC_3B-69.xyz' 2025-08-31T10:10:34,114 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monA_3B-69.xyz' 2025-08-31T10:10:34,115 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monB_3B-69.xyz' 2025-08-31T10:10:34,116 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monC_3B-69.xyz' 2025-08-31T10:10:34,118 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_trim_3B-69.xyz' 2025-08-31T10:10:34,119 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAB_3B-69.xyz' 2025-08-31T10:10:34,120 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAC_3B-69.xyz' 2025-08-31T10:10:34,121 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimBC_3B-69.xyz' 2025-08-31T10:10:34,122 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monA_3B-69.xyz' 2025-08-31T10:10:34,123 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monB_3B-69.xyz' 2025-08-31T10:10:34,124 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monC_3B-69.xyz' 2025-08-31T10:10:34,126 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_trim_3B-69.xyz' 2025-08-31T10:10:34,127 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAB_3B-69.xyz' 2025-08-31T10:10:34,128 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAC_3B-69.xyz' 2025-08-31T10:10:34,129 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimBC_3B-69.xyz' 2025-08-31T10:10:34,130 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monA_3B-69.xyz' 2025-08-31T10:10:34,131 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monB_3B-69.xyz' 2025-08-31T10:10:34,132 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monC_3B-69.xyz' 2025-08-31T10:10:34,133 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_trim_3B-69.xyz' 2025-08-31T10:10:34,135 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAB_3B-69.xyz' 2025-08-31T10:10:34,136 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAC_3B-69.xyz' 2025-08-31T10:10:34,137 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimBC_3B-69.xyz' 2025-08-31T10:10:34,138 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monA_3B-69.xyz' 2025-08-31T10:10:34,139 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monB_3B-69.xyz' 2025-08-31T10:10:34,140 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monC_3B-69.xyz' 2025-08-31T10:10:34,141 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_trim_3B-69.xyz' 2025-08-31T10:10:34,143 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAB_3B-69.xyz' 2025-08-31T10:10:34,144 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAC_3B-69.xyz' 2025-08-31T10:10:34,145 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimBC_3B-69.xyz' 2025-08-31T10:10:34,146 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monA_3B-69.xyz' 2025-08-31T10:10:34,147 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monB_3B-69.xyz' 2025-08-31T10:10:34,148 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monC_3B-69.xyz' 2025-08-31T10:10:34,150 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_trim_3B-69.xyz' 2025-08-31T10:10:34,151 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAB_3B-69.xyz' 2025-08-31T10:10:34,152 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAC_3B-69.xyz' 2025-08-31T10:10:34,153 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimBC_3B-69.xyz' 2025-08-31T10:10:34,154 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monA_3B-69.xyz' 2025-08-31T10:10:34,156 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monB_3B-69.xyz' 2025-08-31T10:10:34,157 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monC_3B-69.xyz' 2025-08-31T10:10:34,158 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_trim_3B-69.xyz' 2025-08-31T10:10:34,159 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAB_3B-69.xyz' 2025-08-31T10:10:34,160 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAC_3B-69.xyz' 2025-08-31T10:10:34,162 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimBC_3B-69.xyz' 2025-08-31T10:10:34,163 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monA_3B-69.xyz' 2025-08-31T10:10:34,164 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monB_3B-69.xyz' 2025-08-31T10:10:34,165 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monC_3B-69.xyz' 2025-08-31T10:10:34,166 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_trim_3B-69.xyz' 2025-08-31T10:10:34,168 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAB_3B-69.xyz' 2025-08-31T10:10:34,169 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAC_3B-69.xyz' 2025-08-31T10:10:34,170 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimBC_3B-69.xyz' 2025-08-31T10:10:34,171 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monA_3B-69.xyz' 2025-08-31T10:10:34,172 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monB_3B-69.xyz' 2025-08-31T10:10:34,173 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monC_3B-69.xyz' 2025-08-31T10:10:34,174 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_trim_3B-69.xyz' 2025-08-31T10:10:34,175 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAB_3B-69.xyz' 2025-08-31T10:10:34,177 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAC_3B-69.xyz' 2025-08-31T10:10:34,178 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimBC_3B-69.xyz' 2025-08-31T10:10:34,179 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monA_3B-69.xyz' 2025-08-31T10:10:34,180 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monB_3B-69.xyz' 2025-08-31T10:10:34,181 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monC_3B-69.xyz' 2025-08-31T10:10:34,182 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_trim_3B-69.xyz' 2025-08-31T10:10:34,184 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAB_3B-69.xyz' 2025-08-31T10:10:34,185 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAC_3B-69.xyz' 2025-08-31T10:10:34,186 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimBC_3B-69.xyz' 2025-08-31T10:10:34,187 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monA_3B-69.xyz' 2025-08-31T10:10:34,188 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monB_3B-69.xyz' 2025-08-31T10:10:34,189 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monC_3B-69.xyz' 2025-08-31T10:10:34,190 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_trim_3B-69.xyz' 2025-08-31T10:10:34,192 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAB_3B-69.xyz' 2025-08-31T10:10:34,193 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAC_3B-69.xyz' 2025-08-31T10:10:34,194 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimBC_3B-69.xyz' 2025-08-31T10:10:34,195 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monA_3B-69.xyz' 2025-08-31T10:10:34,196 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monB_3B-69.xyz' 2025-08-31T10:10:34,198 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monC_3B-69.xyz' 2025-08-31T10:10:34,199 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_trim_3B-69.xyz' 2025-08-31T10:10:34,200 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAB_3B-69.xyz' 2025-08-31T10:10:34,201 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAC_3B-69.xyz' 2025-08-31T10:10:34,202 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimBC_3B-69.xyz' 2025-08-31T10:10:34,204 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monA_3B-69.xyz' 2025-08-31T10:10:34,205 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monB_3B-69.xyz' 2025-08-31T10:10:34,206 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monC_3B-69.xyz' 2025-08-31T10:10:34,207 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_trim_3B-69.xyz' 2025-08-31T10:10:34,208 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz' 2025-08-31T10:10:34,210 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz' 2025-08-31T10:10:34,211 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz' 2025-08-31T10:10:34,212 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz' 2025-08-31T10:10:34,213 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz' 2025-08-31T10:10:34,214 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz' 2025-08-31T10:10:34,216 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz' 2025-08-31T10:10:34,217 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz' 2025-08-31T10:10:34,218 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz' 2025-08-31T10:10:34,219 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz' 2025-08-31T10:10:34,220 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz' 2025-08-31T10:10:34,221 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz' 2025-08-31T10:10:34,223 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz' 2025-08-31T10:10:34,224 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz' 2025-08-31T10:10:34,225 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz' 2025-08-31T10:10:34,227 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz' 2025-08-31T10:10:34,228 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz' 2025-08-31T10:10:34,229 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz' 2025-08-31T10:10:34,230 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz' 2025-08-31T10:10:34,231 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz' 2025-08-31T10:10:34,232 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz' 2025-08-31T10:10:34,234 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz' 2025-08-31T10:10:34,235 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz' 2025-08-31T10:10:34,236 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz' 2025-08-31T10:10:34,237 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz' 2025-08-31T10:10:34,238 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz' 2025-08-31T10:10:34,240 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz' 2025-08-31T10:10:34,241 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz' 2025-08-31T10:10:34,242 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz' 2025-08-31T10:10:34,243 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz' 2025-08-31T10:10:34,245 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz' 2025-08-31T10:10:34,246 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz' 2025-08-31T10:10:34,247 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz' 2025-08-31T10:10:34,249 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz' 2025-08-31T10:10:34,250 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz' 2025-08-31T10:10:34,252 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz' 2025-08-31T10:10:34,253 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz' 2025-08-31T10:10:34,254 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz' 2025-08-31T10:10:34,255 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz' 2025-08-31T10:10:34,257 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz' 2025-08-31T10:10:34,258 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz' 2025-08-31T10:10:34,259 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz' 2025-08-31T10:10:34,262 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat' 2025-08-31T10:10:34,265 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat' 2025-08-31T10:10:34,267 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat' 2025-08-31T10:10:34,269 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat' 2025-08-31T10:10:34,271 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat' 2025-08-31T10:10:34,272 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat' 2025-08-31T10:10:34,273 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat' 2025-08-31T10:10:34,274 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat' 2025-08-31T10:10:34,275 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat' 2025-08-31T10:10:34,276 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat' 2025-08-31T10:10:34,278 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat' 2025-08-31T10:10:34,279 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat' 2025-08-31T10:10:34,281 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat' 2025-08-31T10:10:34,282 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat' 2025-08-31T10:10:34,283 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat' 2025-08-31T10:10:34,285 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat' 2025-08-31T10:10:34,286 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat' 2025-08-31T10:10:34,288 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat' 2025-08-31T10:10:34,290 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat' 2025-08-31T10:10:34,291 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat' 2025-08-31T10:10:34,292 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat' 2025-08-31T10:10:34,293 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat' 2025-08-31T10:10:34,295 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat' 2025-08-31T10:10:34,296 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat' 2025-08-31T10:10:34,297 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat' 2025-08-31T10:10:34,299 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat' 2025-08-31T10:10:34,300 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat' 2025-08-31T10:10:34,301 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat' 2025-08-31T10:10:34,302 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat' 2025-08-31T10:10:34,304 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat' 2025-08-31T10:10:34,305 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat' 2025-08-31T10:10:34,306 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat' 2025-08-31T10:10:34,307 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat' 2025-08-31T10:10:34,309 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat' 2025-08-31T10:10:34,310 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat' 2025-08-31T10:10:34,312 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat' 2025-08-31T10:10:34,313 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat' 2025-08-31T10:10:34,314 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat' 2025-08-31T10:10:34,321 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat' 2025-08-31T10:10:34,323 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat' 2025-08-31T10:10:34,324 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat' 2025-08-31T10:10:34,325 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat' 2025-08-31T10:10:34,326 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat' 2025-08-31T10:10:34,328 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat' 2025-08-31T10:10:34,329 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat' 2025-08-31T10:10:34,330 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat' 2025-08-31T10:10:34,331 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat' 2025-08-31T10:10:34,333 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat' 2025-08-31T10:10:34,334 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat' 2025-08-31T10:10:34,335 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat' 2025-08-31T10:10:34,337 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat' 2025-08-31T10:10:34,339 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat' 2025-08-31T10:10:34,340 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat' 2025-08-31T10:10:34,341 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat' 2025-08-31T10:10:34,342 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat' 2025-08-31T10:10:34,343 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat' 2025-08-31T10:10:34,344 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat' 2025-08-31T10:10:34,345 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat' 2025-08-31T10:10:34,346 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat' 2025-08-31T10:10:34,348 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat' 2025-08-31T10:10:34,352 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat' 2025-08-31T10:10:34,354 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat' 2025-08-31T10:10:34,360 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat' 2025-08-31T10:10:34,361 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat' 2025-08-31T10:10:34,363 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat' 2025-08-31T10:10:34,364 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat' 2025-08-31T10:10:34,365 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat' 2025-08-31T10:10:34,366 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat' 2025-08-31T10:10:34,368 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat' 2025-08-31T10:10:34,369 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat' 2025-08-31T10:10:34,371 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat' 2025-08-31T10:10:34,372 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat' 2025-08-31T10:10:34,373 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat' 2025-08-31T10:10:34,374 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat' 2025-08-31T10:10:34,376 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat' 2025-08-31T10:10:34,377 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat' 2025-08-31T10:10:34,378 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat' 2025-08-31T10:10:34,383 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat' 2025-08-31T10:10:34,386 adding 'xcbm-0.1.6.dist-info/licenses/LICENSE' 2025-08-31T10:10:34,388 adding 'xcbm-0.1.6.dist-info/METADATA' 2025-08-31T10:10:34,388 adding 'xcbm-0.1.6.dist-info/WHEEL' 2025-08-31T10:10:34,389 adding 'xcbm-0.1.6.dist-info/top_level.txt' 2025-08-31T10:10:34,693 adding 'xcbm-0.1.6.dist-info/RECORD' 2025-08-31T10:10:34,983 removing build/bdist.linux-armv7l/wheel 2025-08-31T10:10:45,573 Building wheel for xcbm (pyproject.toml): finished with status 'done' 2025-08-31T10:10:45,782 Created wheel for xcbm: filename=xcbm-0.1.6-py3-none-any.whl size=8840058 sha256=77600b40844b481dc27bc9c50e087f8fc2b5f4322e58b8f115d1afb88d3bf3b5 2025-08-31T10:10:45,783 Stored in directory: /tmp/pip-ephem-wheel-cache-miwezv0c/wheels/85/ed/fb/02e4c1dc0c021ff95c08189415939e11498e47d0a25b279685 2025-08-31T10:10:46,340 Successfully built xcbm 2025-08-31T10:10:46,533 Removed build tracker: '/tmp/pip-build-tracker-ww5u8j2v'